SCHEMBL31267409

SCHEMBL31267409

ClC(Cl)(Cl)c1nc2ccccc2n1C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
OGFRL1 Q5TC84 14/20 0.49
OPRM1 P35372 11/20 0.49
OPRK1 P41145 11/20 0.49
OPRD1 P41143 9/20 0.49
PRKACA P17612 3/20 0.49
RPS6KB1 P23443 3/20 0.49
GSK3B P49841 3/20 0.49
ROCK1 Q13464 3/20 0.49
OPRL1 P41146 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL1422872 0.92 CYP11B2 (0.48) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL2362192 0.80 CYP11B2 (0.46) TP53PRKACARPS6KB1GSK3B
SCHEMBL1128699 0.78 TP53 (0.56) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL30662377 0.77 TP53 (0.56) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL29135537 0.77 TP53 (0.56) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL1104426 0.76 TP53 (0.58) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21311255 0.76 OPRM1 (0.59) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL18250718 0.76 GAA (0.64) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL31267382 0.75 TP53 (0.54) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL2929873 0.74 RPS6KB1 (0.58) TP53OGFRL1OPRM1OPRK1OPRD1

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
CN-119306668-A Benzimidazole compound, and preparation method and application thereof 中国医学科学院药物研究所 2025-01-14 CN disclosed