SCHEMBL5598246

SCHEMBL5598246

COCCn1c(C)nc2cc(Br)cc(OCc3ccc(F)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGER1 P34995 1/20 0.39
MAOB P27338 1/20 0.38
MAPK14 Q16539 4/20 0.38
CSF1R P07333 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5591586 0.94 LMNA (0.40) LMNAPOLBMAPTSTAT3HTT
SCHEMBL1941058 0.89 CYP1A2 (0.44) LMNASTAT3HTTSMN1; SMN2HSD17B10
SCHEMBL5591600 0.85 MAPT (0.39) LMNAPOLBMAPTSTAT3HTT
SCHEMBL5598558 0.84 PPARA (0.43) HSD17B10CYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL14521393 0.81 PTGER4 (0.39) LMNAPOLBMAPTSTAT3HTT
SCHEMBL14522391 0.79 STING1 (0.42) LMNAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL14522385 0.79 USP2 (0.44) LMNAPOLBMAPTSMN1; SMN2CYP3A4
SCHEMBL5598461 0.77 HSD17B10 (0.44) LMNAMAPTSMN1; SMN2HSD17B10CYP1A2
SCHEMBL14522388 0.77 KMT2A (0.35) LMNAPOLBMAPTSTAT3HTT
SCHEMBL14521330 0.76 STING1 (0.40) LMNAPOLBMAPTSTAT3HTT

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