SCHEMBL11016890

SCHEMBL11016890

CCCSc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 19/20 0.63
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11016885 0.92 CHEK2 (0.53) CHEK2MEN1LMNATP53CYP1A2
SCHEMBL11016463 0.92 CHEK2 (0.66) CHEK2
SCHEMBL11022051 0.87 CHEK2 (0.66) CHEK2
SCHEMBL11016458 0.84 CHEK2 (0.55) CHEK2MAPK1
SCHEMBL11017902 0.83 CHEK2 (0.53) CHEK2TP53
SCHEMBL11020867 0.83 TP53 (0.51) CHEK2MEN1LMNATP53CYP1A2
SCHEMBL11019181 0.82 TP53 (0.55) CHEK2MEN1LMNATP53CYP1A2
SCHEMBL11019652 0.82 CHEK2 (0.52) CHEK2LMNA
SCHEMBL11017363 0.80 AR (0.50) CHEK2MEN1LMNATP53CYP1A2
SCHEMBL11019275 0.80 CHEK2 (0.48) CHEK2MEN1LMNATP53KMT2A

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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