SCHEMBL5598461

SCHEMBL5598461

COCCn1c(C)nc2cc(C(=O)N3CCOCC3)cc(OCc3ccc(F)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
HPGD P15428 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
PTGER4 P35408 1/20 0.43
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL14522385 0.92 USP2 (0.44) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5598558 0.85 PPARA (0.43) HSD17B10HPGDPTGER4ALDH1A1CYP1A2
SCHEMBL14521393 0.83 PTGER4 (0.39) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14522391 0.80 STING1 (0.42) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL14522388 0.78 KMT2A (0.35) HSD17B10HPGDSMN1; SMN2PTGER4ALDH1A1
SCHEMBL14521330 0.78 STING1 (0.40) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5598246 0.77 LMNA (0.41) HSD17B10HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL1942913 0.76 GLP1R (0.45) HSD17B10HPGDGAAPTGER4ALDH1A1
SCHEMBL1943031 0.75 LMNA (0.46) HSD17B10HPGDGAAPTGER4ALDH1A1
SCHEMBL5591600 0.75 MAPT (0.39) HSD17B10HPGDSMN1; SMN2PTGER4ALDH1A1

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