SCHEMBL7185342

SCHEMBL7185342

N#Cc1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 0.59
TNKS2 Q9H2K2 2/20 0.57
PARP2 Q9UGN5 3/20 0.51
OPRM1 P35372 1/20 0.50
PARP1 P09874 2/20 0.49
HSD11B1 P28845 2/20 0.47
PGR P06401 5/20 0.47
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL7185339 1.00 TNKS (0.59) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL8242664 0.93 TNKS (0.64) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL20334018 0.88 TNKS (0.59) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL7178536 0.88 TNKS (0.59) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL15289117 0.87 TNKS (0.59) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL16456327 0.87 TNKS (0.64) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL16456031 0.87 TNKS (0.64) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL16445244 0.87 TNKS (0.59) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL7181965 0.87 SIRT2 (0.60) TNKSTNKS2PARP2OPRM1PARP1
SCHEMBL7190982 0.87 SIRT2 (0.60) TNKSTNKS2PARP2OPRM1PARP1

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed