SCHEMBL11022045

SCHEMBL11022045

COc1c(-c2nc3cc(C(N)=O)ccc3[nH]2)ccc(C)c1S

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.47
▸ CHEK2 O96017 19/20 0.45

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
SCHEMBL11020728 0.90 AMY1A (0.48) AMY1ACHEK2
SCHEMBL11019903 0.89 AMY1A (0.47) AMY1A
SCHEMBL11020368 0.87 AMY1A (0.46) AMY1A
SCHEMBL11017268 0.87 CHEK2 (0.47) AMY1ACHEK2
SCHEMBL11016456 0.87 CHEK2 (0.44) AMY1ACHEK2
SCHEMBL11018142 0.84 AMY1A (0.43) AMY1A
SCHEMBL11016884 0.84 CHEK2 (0.41) AMY1ACHEK2
SCHEMBL11019266 0.83 AMY1A (0.43) AMY1A
SCHEMBL11019293 0.77 AMY1A (0.49) AMY1ACHEK2
SCHEMBL11019017 0.77 HPSE (0.42) CHEK2

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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