SCHEMBL11016456

SCHEMBL11016456

CCc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)c(OC)c1S

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 18/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41

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
SCHEMBL11016884 0.93 CHEK2 (0.41) CHEK2MMP2MMP13AMY1A
SCHEMBL11017894 0.90 CHEK2 (0.43) CHEK2AMY1A
SCHEMBL11019649 0.89 RHEB (0.44) MMP2MMP13AMY1A
SCHEMBL11022045 0.87 AMY1A (0.47) CHEK2AMY1A
SCHEMBL11018934 0.80 AMY1A (0.41) CHEK2AMY1A
SCHEMBL11017084 0.79 ALDH1A1 (0.41) CHEK2
SCHEMBL11020728 0.77 AMY1A (0.48) CHEK2AMY1A
SCHEMBL10417490 0.77 PDE5A (0.43) AMY1A
SCHEMBL11018142 0.76 AMY1A (0.43) AMY1A
SCHEMBL11020861 0.76 ATM (0.41) CHEK2MMP2MMP13

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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