SCHEMBL11018199

SCHEMBL11018199

C#CCOc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)c(OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.51
PARP1 P09874 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
TTK P33981 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL11018206 0.93 CHEK2 (0.61) CHEK2F2F10PLGPLAU
SCHEMBL11020236 0.91 CHEK2 (0.48) CHEK2PARP1
SCHEMBL11018593 0.91 TP53 (0.46) CHEK2F2F10PLGPLAU
SCHEMBL11018034 0.90 RHEB (0.39) CHEK2F2F10PLGPLAU
SCHEMBL11017854 0.85 MAOB (0.43) F2F10PLGPLAUPLAT
SCHEMBL11020242 0.84 CHEK2 (0.58) CHEK2
SCHEMBL11018596 0.84 TP53 (0.54) CHEK2F2F10PLGPLAU
SCHEMBL11019245 0.83 CHEK2 (0.44) CHEK2
SCHEMBL11018042 0.82 CHEK2 (0.48) CHEK2F2F10PLGPLAU
SCHEMBL11036642 0.82 PDE2A (0.41) CHEK2PARP1

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