SCHEMBL3199457

SCHEMBL3199457

Cc1ccc(C(=N)c2ccccc2C2c3ccccc3-c3ccccc32)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MYC P01106 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2A6 P11509 1/20 0.30
GPR3 P46089 1/20 0.30
HTR2A P28223 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
SCHEMBL3210983 0.85 CYP1A2 (0.33) CYP3A4CYP2C19CYP2D6CYP1A2KDM4E
SCHEMBL3202378 0.81 CYP1A2 (0.41) CYP3A4CYP2C19CYP2D6CYP1A2KDM4E
SCHEMBL3211672 0.80 CYP1A2 (0.31) CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL3215935 0.76
SCHEMBL3204856 0.75 CYP1A2 (0.32) CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL3209968 0.74 CYP1A2 (0.39) CYP1A2KMT2ACYP2C9GPR3HTR2A
SCHEMBL3205430 0.72 CYP3A4 (0.32) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
SCHEMBL3674178 0.71 PNMT (0.42) CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1
SCHEMBL3214271 0.71 CYP3A4 (0.33) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
SCHEMBL3212315 0.70 CYP1A2 (0.32) CYP3A4CYP2C19CYP2D6CYP1A2

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