SCHEMBL6532045

SCHEMBL6532045

O=C(O)c1ccc2c(c1)nc(NCc1ccncc1)n2C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 3/20 0.47
OGFRL1 Q5TC84 3/20 0.46
CSNK2A1 P68400 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
HDAC6 Q9UBN7 3/20 0.43
OPRD1 P41143 1/20 0.43
OPRL1 P41146 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC10 Q969S8 2/20 0.42
IDH1 O75874 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41

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 0.92 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6529610 0.88 L3MBTL1 (0.54) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6530018 0.85 L3MBTL1 (0.55) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6532046 0.85 OPRM1 (0.41) L3MBTL1OGFRL1MEN1KMT2AOPRM1
SCHEMBL6530897 0.84 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6532516 0.83 L3MBTL1 (0.55) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6528355 0.82 IDH1 (0.41) L3MBTL1GAAOGFRL1OPRM1OPRK1
SCHEMBL6530892 0.82 L3MBTL1 (0.58) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6530967 0.81 L3MBTL1 (0.61) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL6528750 0.81 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3OGFRL1

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