SCHEMBL610066

SCHEMBL610066

C=CC(=C)Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.55
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
CHRNA7 P36544 1/20 0.44
ESR1 P03372 2/20 0.44
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP2A6 P11509 1/20 0.42
RECQL P46063 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL610771 0.82 ESR1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19CHRNA7
SCHEMBL8235696 0.79 NAPRT (0.66) NAPRTCYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8737617 0.77 NAPRT (0.58) NAPRTCYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL610421 0.76 LOXL2 (0.39) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL1073587 0.76 CES1 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL22024031 0.74 NAPRT (0.55) NAPRTCYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL31707502 0.74 GRIN2D (0.36) CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL9280186 0.74 NAPRT (0.54) NAPRTCYP1A2CYP3A4CYP2C9CYP19A1
SCHEMBL7326169 0.73 NAPRT (0.69) NAPRTCYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL20332456 0.73 NAPRT (0.53) NAPRTCYP1A2CYP3A4CYP2C9CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239183-B1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL CO (JP) 2020-03-11 EP disclosed
US-10118973-B2 Modified conjugated diene polymer, and polymer composition containing said polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-06 US disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-20170369599-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-28 US disclosed
EP-3239183-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER Sumitomo Chemical Company, Ltd. (JP) 2017-11-01 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-9163105-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-20 US disclosed
US-9156969-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9085652-B2 Method for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-21 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
US-20140296459-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-02 US disclosed
US-20140275404-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-20140275402-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-4001151-A DENTURE ADHESIVES, POLYETHYLENE, POLYPROPYLENE WARNER-LAMBERT COMPANY (US) 1977-01-04 US disclosed