SCHEMBL11016885

SCHEMBL11016885

CCCSc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 18/20 0.53
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL11016890 0.92 CHEK2 (0.63) CHEK2MAPK1MEN1LMNATP53
SCHEMBL11016458 0.92 CHEK2 (0.55) CHEK2MAPK1
SCHEMBL11022048 0.87 CHEK2 (0.55) CHEK2
SCHEMBL11016463 0.84 CHEK2 (0.66) CHEK2
SCHEMBL11017897 0.83 PDE4A (0.44) CHEK2TP53
SCHEMBL11020863 0.83 SMN1; SMN2 (0.44) CHEK2MAPK1MEN1LMNATP53
SCHEMBL11019173 0.82 POLB (0.47) CHEK2MAPK1MEN1LMNATP53
SCHEMBL11019650 0.82 CHEK2 (0.43) CHEK2LMNATP53HPGDSMN1; SMN2
SCHEMBL11017329 0.80 AR (0.50) MAPK1MEN1LMNATP53CYP1A2
SCHEMBL11019270 0.80 KDM4E (0.45) CHEK2MAPK1MEN1LMNATP53

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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