SCHEMBL5591571

SCHEMBL5591571

COCCn1c(C)nc2cc(C#N)cc(OCc3c(C)cccc3C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
CYP1A2 P05177 9/20 0.38
ALDH1A1 P00352 8/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2C9 P11712 7/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2C19 P33261 4/20 0.37
CYP2D6 P10635 3/20 0.37
CASP1 P29466 5/20 0.37
CASP7 P55210 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CASR P41180 3/20 0.36
USP2 O75604 4/20 0.35
HIF1A Q16665 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL1941549 0.87 CYP1A2 (0.47) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL5591600 0.83 MAPT (0.39) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL5598194 0.81 PTGER4 (0.41) PTGER4
SCHEMBL14521250 0.76 KMT2A (0.40) PTGER4CYP3A4CYP2C9CYP2D6KMT2A
SCHEMBL5591608 0.70 PTGER4 (0.59) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL1941058 0.70 CYP1A2 (0.44) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL5591693 0.70 HPGD (0.35) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL1942913 0.68 GLP1R (0.45) PTGER4CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL14521394 0.67 PTGER4 (0.41) PTGER4ALDH1A1TP53BRD4
SCHEMBL2496199 0.67 CASR (0.69) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed