SCHEMBL11116471

SCHEMBL11116471

COc1ccc(C(=NO)c2ccc3nc(N)n(C4CCCCC4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.43
▸ CNR2 P34972 2/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM2B Q8NHM5 3/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL11006353 0.87 PI4KB (0.53) PI4KBHCAR1PRKACARPS6KB1GSK3B
SCHEMBL11006351 0.87 PI4KB (0.53) PI4KBHCAR1PRKACARPS6KB1GSK3B
SCHEMBL11111590 0.85 CNR2 (0.45) CNR2HCAR1PRKACARPS6KB1GSK3B
SCHEMBL989522 0.73 L3MBTL1 (0.41) HCAR1RPS6KB1KDM2BHPGDALDH1A1
SCHEMBL21310911 0.73 ALDH1A1 (0.52) HCAR1RPS6KB1ALDH1A1ALOX15OPRM1
SCHEMBL2361982 0.72 TP53 (0.43) HCAR1PRKACARPS6KB1GSK3BROCK1
SCHEMBL2360920 0.72 HCAR1 (0.50) HCAR1PRKACARPS6KB1GSK3BROCK1
SCHEMBL2362323 0.70 CYP11B2 (0.50) HCAR1PRKACARPS6KB1GSK3BROCK1
SCHEMBL2343261 0.70 OPRM1 (0.42) HCAR1CYP11B1CYP11B2ALDH1A1OPRM1
SCHEMBL17582784 0.70 RPS6KB1 (0.48) RPS6KB1LMNAHPGDALDH1A1ALOX15

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
EP-0111993-A2 Improvements in or relating to benzimidazoles ELI LILLY AND COMPANY (US) 1984-06-27 — — EP claimed
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