SCHEMBL11020824

SCHEMBL11020824

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 17/20 0.48
▸ PARP1 P09874 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PDE2A O00408 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
SCHEMBL11020833 0.92 CHEK2 (0.58) CHEK2LMNASMN1; SMN2NPSR1
SCHEMBL11017574 0.91 NPSR1 (0.45) CHEK2PARP1LMNASMN1; SMN2NPSR1
SCHEMBL11016715 0.86 HPGD (0.43) LMNASMN1; SMN2NPSR1
SCHEMBL11020236 0.85 CHEK2 (0.48) CHEK2PARP1PDE2A
SCHEMBL11017577 0.83 CHEK2 (0.53) CHEK2LMNASMN1; SMN2NPSR1
SCHEMBL11018423 0.83 AMY1A (0.47) LMNASMN1; SMN2NPSR1PDE2A
SCHEMBL10748970 0.81 CHEK2 (0.51) CHEK2
SCHEMBL9635925 0.79 PDE5A (0.47) PARP1LMNASMN1; SMN2NPSR1PDE2A
SCHEMBL10733296 0.79 PDE2A (0.46) PARP1LMNASMN1; SMN2NPSR1PDE2A
SCHEMBL11022048 0.78 CHEK2 (0.55) 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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