SCHEMBL6530892

SCHEMBL6530892

O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)n2C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HDAC6 Q9UBN7 4/20 0.55
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
OGFRL1 Q5TC84 3/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRL1 P41146 1/20 0.48
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HCAR3 P49019 2/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CSNK2A1 P68400 3/20 0.44
IDH1 O75874 1/20 0.44

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) L3MBTL1HDAC6EHMT2EHMT1OGFRL1
SCHEMBL6530894 0.85 OGFRL1 (0.46) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6530018 0.83 L3MBTL1 (0.55) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6530267 0.83 HDAC6 (0.46) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6529610 0.82 L3MBTL1 (0.54) L3MBTL1OGFRL1OPRM1OPRK1HSD17B10
SCHEMBL6530897 0.82 L3MBTL1 (0.60) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6532045 0.82 L3MBTL1 (0.58) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6530967 0.81 L3MBTL1 (0.61) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL6532516 0.81 L3MBTL1 (0.55) L3MBTL1HDAC6OGFRL1OPRM1OPRK1
SCHEMBL5517622 0.80 L3MBTL1 (0.62) L3MBTL1HSD17B10GAAHCAR3IDH1

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