SCHEMBL11018206

SCHEMBL11018206

C#CCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(OCC)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 19/20 0.61
▸ F2 P00734 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ PLAT P00750 1/20 0.49

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
SCHEMBL11018199 0.93 CHEK2 (0.51) CHEK2F2F10PLGPLAU
SCHEMBL11020242 0.91 CHEK2 (0.58) CHEK2
SCHEMBL11018596 0.91 TP53 (0.54) CHEK2F2F10PLGPLAU
SCHEMBL11018042 0.90 CHEK2 (0.48) CHEK2F2F10PLGPLAU
SCHEMBL11017857 0.85 ALDH1A1 (0.46) CHEK2F2F10PLGPLAU
SCHEMBL11020236 0.84 CHEK2 (0.48) CHEK2
SCHEMBL11018593 0.84 TP53 (0.46) CHEK2F2F10PLGPLAU
SCHEMBL11019250 0.83 CHEK2 (0.53) CHEK2
SCHEMBL11018034 0.82 RHEB (0.39) CHEK2F2F10PLGPLAU
SCHEMBL11018770 0.82 KDM4E (0.47) CHEK2F2F10PLGPLAU

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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