SCHEMBL6821850

SCHEMBL6821850

O=C(O)c1c(Cc2cccc(C(F)(F)F)c2)cc[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
NR4A2 P43354 2/20 0.43
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FEN1 P39748 1/20 0.42
ACP3 P15309 1/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NR3C1 P04150 1/20 0.40

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
SCHEMBL6818415 0.89 DAO (0.47) DAOMEN1MAPTKMT2AACP3
SCHEMBL6821880 0.84 SRD5A2 (0.48) DAODHODH
SCHEMBL6821801 0.81 CYP1A2 (0.45) MEN1KMT2A
SCHEMBL6822381 0.81 EGFR (0.49) DAODHODHMAPT
SCHEMBL4381378 0.76 DAO (0.40) DAO
SCHEMBL28228782 0.74 MAPT (0.40) DAONR4A2MAPT
SCHEMBL8499067 0.74 NR3C2 (0.50) MEN1MAPTKMT2A
SCHEMBL6821810 0.73 DAO (0.41) DAOMMP1MMP12PPARGPPARA
SCHEMBL4430631 0.72 ACP3 (0.42) DAOMEN1KMT2AACP3
SCHEMBL4427278 0.72 PDE3B (0.40) FEN1

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed