SCHEMBL2362094

SCHEMBL2362094

COCCn1c(C(=O)Nc2ccc3[nH]c(-c4c(F)cccc4Cl)nc3c2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.44
DGAT1 O75907 2/20 0.41
PTGES O14684 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
RIPK2 O43353 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37

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
SCHEMBL2361026 0.94 DGAT1 (0.41) PTGER4DGAT1PTGESMAOAMAOB
SCHEMBL2361142 0.84 DGAT1 (0.44) DGAT1PTGESNPC1RAB9AMAPT
SCHEMBL2364793 0.79 EHMT2 (0.45) PTGER4MAPT
SCHEMBL2365383 0.77 PTGES (0.46) DGAT1PTGESNPC1RAB9ANR2E3
SCHEMBL2360771 0.77 PTGES (0.50) DGAT1PTGESNPC1ALDH1A1RAB9A
SCHEMBL2361289 0.77 DGAT1 (0.48) DGAT1PTGESMAOBMAPTNR2E3
SCHEMBL2361453 0.74 DGAT1 (0.46) DGAT1PTGESMAOBALDH1A1MAPT
SCHEMBL2362023 0.74 RHEB (0.57) DGAT1PTGESNPC1ALDH1A1RAB9A
SCHEMBL2362016 0.73 EHMT2 (0.48) PTGER4PTGESMAPT
SCHEMBL2361492 0.73 NR2E3 (0.64) DGAT1NPC1RAB9AMAPTNR2E3

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-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO claimed