SCHEMBL6529610

SCHEMBL6529610

O=C(O)c1ccc2c(c1)nc(NCc1cccnc1)n2C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
CSNK2A1 P68400 2/20 0.48
EGFR P00533 2/20 0.47
OGFRL1 Q5TC84 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FPR1 P21462 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE9A O76083 1/20 0.43
TBXAS1 P24557 1/20 0.43
TSHR P16473 2/20 0.43

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) L3MBTL1OGFRL1OPRM1OPRK1HSD17B10
SCHEMBL6532045 0.88 L3MBTL1 (0.58) L3MBTL1CSNK2A1OGFRL1OPRM1OPRK1
SCHEMBL6529611 0.86 EGFR (0.43) EGFROGFRL1OPRM1OPRK1KDM4E
SCHEMBL6530897 0.85 L3MBTL1 (0.60) L3MBTL1EGFROGFRL1OPRM1OPRK1
SCHEMBL6530018 0.84 L3MBTL1 (0.55) L3MBTL1OGFRL1OPRM1OPRK1HSD17B10
SCHEMBL14383408 0.84 L3MBTL1 (0.49) L3MBTL1CSNK2A1OGFRL1OPRM1OPRK1
SCHEMBL14383413 0.83 L3MBTL1 (0.48) L3MBTL1CSNK2A1EGFROGFRL1OPRM1
SCHEMBL14383414 0.83 L3MBTL1 (0.48) L3MBTL1CSNK2A1OGFRL1OPRM1OPRK1
SCHEMBL14383207 0.83 L3MBTL1 (0.52) L3MBTL1CSNK2A1OGFRL1OPRM1OPRK1
SCHEMBL6530892 0.82 L3MBTL1 (0.58) L3MBTL1CSNK2A1OGFRL1OPRM1OPRK1

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