SCHEMBL611405

SCHEMBL611405

O=C(c1ccccc1)c1ccc(Sn2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADH5 P11766 1/20 0.40

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
SCHEMBL6973258 0.82 CYP3A4 (0.45) CYP19A1MEN1KMT2AALDH1A1LMNA
SCHEMBL610423 0.81 CYP3A4 (0.55) KMT2AALDH1A1LMNAMAPTRAB9A
SCHEMBL611113 0.74 KMT2A (0.44) CYP19A1MEN1KMT2ANPY5RALDH1A1
SCHEMBL608826 0.73 ADH5 (0.67) CYP19A1MEN1KMT2AMAPTADH5
SCHEMBL27525173 0.72 ADH5 (0.41) ALDH1A1LMNAMAPTADH5
Benzophenone SCHEMBL28921054 0.69 CYP19A1 (0.68) CYP19A1ALDH1A1
SCHEMBL17828242 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SRD5A2LMNA
SCHEMBL17828245 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SRD5A2LMNA
SCHEMBL6787662 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SRD5A2LMNA
SCHEMBL5609661 0.68 CYP19A1 (0.33) CYP19A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP 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-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