SCHEMBL5591600

SCHEMBL5591600

COCCn1c(C)nc2cc(C#N)cc(OCc3ccc(F)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CASP1 P29466 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C19 P33261 2/20 0.38
CASP7 P55210 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLP1R P43220 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36

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 0.90 CYP1A2 (0.47) LMNASTAT3HTTSMN1; SMN2ALDH1A1
SCHEMBL5598246 0.85 LMNA (0.41) MAPTLMNAPOLBSTAT3HTT
SCHEMBL5591571 0.83 PTGER4 (0.38) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL5598558 0.81 PPARA (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL14521393 0.79 PTGER4 (0.39) MAPTLMNAPOLBSTAT3HTT
SCHEMBL5591586 0.79 LMNA (0.40) MAPTLMNAPOLBSTAT3HTT
SCHEMBL14522391 0.77 STING1 (0.42) MAPTLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL14522385 0.76 USP2 (0.44) MAPTLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL5598461 0.75 HSD17B10 (0.44) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14522388 0.74 KMT2A (0.35) MAPTLMNAPOLBSTAT3HTT

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