SCHEMBL7708439

SCHEMBL7708439

NC(=O)c1cccc2[nH]c(C3CCN(CCc4ccc(S(=O)(=O)c5ccccc5)cc4)C3)nc12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.83
PARP2 Q9UGN5 3/20 0.63

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
SCHEMBL5621645 0.96 PARP1 (0.75) PARP1PARP2
SCHEMBL631280 0.91 PARP1 (1.00) PARP1PARP2
SCHEMBL5621588 0.89 PARP1 (0.77) PARP1PARP2
SCHEMBL6870302 0.88 PARP1 (0.64) PARP1PARP2
SCHEMBL5620067 0.87 PARP1 (0.85) PARP1PARP2
SCHEMBL5621502 0.87 PARP1 (0.84) PARP1PARP2
SCHEMBL5621575 0.87 PARP1 (0.84) PARP1PARP2
SCHEMBL7708440 0.86 PARP1 (0.61) PARP1PARP2
SCHEMBL5621356 0.85 PARP1 (0.78) PARP1PARP2
SCHEMBL5621376 0.85 PARP1 (0.70) PARP1PARP2

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-6448271-B1 SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed