SCHEMBL6530897

SCHEMBL6530897

Cc1cccc(CNc2nc3cc(C(=O)O)ccc3n2C2CCCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
OGFRL1 Q5TC84 3/20 0.51
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
TP53 P04637 3/20 0.48
OPRD1 P41143 1/20 0.45
OPRL1 P41146 1/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 2/20 0.43
HDAC6 Q9UBN7 3/20 0.43
MAPT P10636 3/20 0.43
EGFR P00533 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC10 Q969S8 2/20 0.42
IDH1 O75874 1/20 0.42

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
SCHEMBL6528422 0.90 L3MBTL1 (0.60) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6530899 0.86 OPRM1 (0.43) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6512975 0.86 TP53 (0.45) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6530177 0.86 TP53 (0.45) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6530018 0.86 L3MBTL1 (0.55) L3MBTL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6528750 0.85 L3MBTL1 (0.60) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6529610 0.85 L3MBTL1 (0.54) L3MBTL1OGFRL1OPRM1OPRK1HSD17B10
SCHEMBL6532045 0.84 L3MBTL1 (0.58) L3MBTL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6530967 0.84 L3MBTL1 (0.61) L3MBTL1OGFRL1OPRM1OPRK1TP53
SCHEMBL6532288 0.84 ACSL1 (0.41) L3MBTL1OGFRL1OPRM1OPRK1OPRD1

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-2005019186-A1 2-AMINOBENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF HIV/AIDS BAYER HEALTHCARE AG (DE) 2005-03-03 WO disclosed