SCHEMBL6512975

SCHEMBL6512975

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 5/20 0.43
MAPT P10636 3/20 0.42
HDAC6 Q9UBN7 4/20 0.40
MAP3K7 O43318 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
IRAK1 P51617 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC10 Q969S8 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 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
SCHEMBL6530897 0.86 L3MBTL1 (0.60) TP53L3MBTL1EGFRMAPTHDAC6
SCHEMBL6530177 0.85 TP53 (0.45) TP53L3MBTL1EGFRMAPTHDAC6
SCHEMBL6530899 0.79 OPRM1 (0.43) TP53L3MBTL1EGFROPRM1OPRK1
SCHEMBL6532288 0.78 ACSL1 (0.41) L3MBTL1EGFROPRM1OPRK1OGFRL1
SCHEMBL6528422 0.77 L3MBTL1 (0.60) TP53L3MBTL1HDAC6HDAC3HDAC1
SCHEMBL6530018 0.73 L3MBTL1 (0.55) L3MBTL1HDAC6HDAC3HDAC1HDAC10
SCHEMBL6528750 0.72 L3MBTL1 (0.60) TP53L3MBTL1EGFRHDAC6HDAC3
SCHEMBL6529610 0.72 L3MBTL1 (0.54) L3MBTL1EGFROPRM1OPRK1OGFRL1
SCHEMBL6532045 0.71 L3MBTL1 (0.58) L3MBTL1HDAC6HDAC3HDAC1HDAC10
SCHEMBL6530967 0.71 L3MBTL1 (0.61) TP53L3MBTL1MAPTHDAC6HDAC3

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