SCHEMBL3202378

SCHEMBL3202378

Cc1ccc(C(=N)c2c(C3c4ccccc4-c4ccccc43)ccc3ccccc23)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
WDR5 P61964 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM1A O60341 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL3213438 0.83 CYP1A2 (0.38) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3199457 0.81 CYP3A4 (0.33) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3210983 0.81 CYP1A2 (0.33) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3214766 0.80 CYP1A2 (0.37) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3201463 0.79 CYP1A2 (0.35) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3682906 0.77 CYP1A2 (0.39) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3191219 0.76 EPHX1 (0.40) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3213937 0.74 CYP1A2 (0.39) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3192348 0.72 KDM1A (0.36) CYP1A2CYP2A6TSHRCYP3A4CYP2C19
SCHEMBL3192314 0.72 CYP1A2 (0.37) CYP1A2CYP2A6TSHRCYP3A4CYP2C19

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