SCHEMBL3262857

SCHEMBL3262857

Cc1cc(C)c(N(Cc2c(C3c4ccccc4-c4ccccc43)ccc3ccccc23)[Ti](Cl)Cl)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 1/20 0.33
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3260106 0.85 KMT2A (0.30) CYP1A2CYP2A6KMT2A
SCHEMBL3261604 0.82 KMT2A (0.33) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL3261815 0.82 SLC22A2 (0.32)
Hydrochloric Acid SCHEMBL3262855 0.82 CYP1A2 (0.34) CYP1A2CYP2A6CRHR1KDM4EMAPT
SCHEMBL3264250 0.81 CYP1A2 (0.30) CYP1A2CYP2A6
SCHEMBL3738280 0.77 PNMT (0.32) CYP1A2CYP2A6ALDH1A1
SCHEMBL3211770 0.72 NCEH1 (0.34) KDM4EMAPTTDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3264206 0.69 KDM4E (0.35) CYP1A2KDM4EMAPTTDP1CYP2D6
SCHEMBL3862085 0.68 CYP1A2 (0.32) CYP1A2CYP2A6KDM4EMAPTTDP1
SCHEMBL3200642 0.68 ALDH1A1 (0.42) CYP1A2CYP2A6KDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed