SCHEMBL4970649

SCHEMBL4970649

CNS(=O)(=O)c1cnc(C)n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CHRM5 P08912 1/20 0.34
CDK2 P24941 1/20 0.32
SLC8A1 P32418 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
FTO Q9C0B1 1/20 0.31
LMNA P02545 2/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL13380333 0.78 CHRM5 (0.36) S1PR1SMN1; SMN2CHRM5CDK2CA1
SCHEMBL1472628 0.76 S1PR1 (0.36) S1PR1CHRM5CDK2SLC8A1CA1
SCHEMBL1772353 0.76 CHRM5 (0.36) S1PR1SMN1; SMN2CHRM5CDK2CA1
SCHEMBL2908944 0.76 CHRM5 (0.36) S1PR1SMN1; SMN2CHRM5CDK2CA1
SCHEMBL15039540 0.76 CDK2 (0.39) S1PR1SMN1; SMN2CHRM5CDK2CA1
Hydrochloric Acid SCHEMBL27709943 0.74 CHRM5 (0.35) S1PR1SMN1; SMN2CHRM5CDK2CA1
SCHEMBL2990640 0.67 JAK1 (0.33) SMN1; SMN2GAACA1CA2CA9
SCHEMBL5367529 0.64
SCHEMBL30338706 0.63 AR (0.39) SMN1; SMN2LMNA
SCHEMBL822679 0.62

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP claimed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP claimed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO claimed