SCHEMBL5622285

SCHEMBL5622285

CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.71
PARP2 Q9UGN5 2/20 0.66

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
SCHEMBL664574 0.96 PARP1 (0.72) PARP1PARP2
SCHEMBL29634283 0.96 PARP1 (0.72) PARP1PARP2
SCHEMBL5621054 0.94 PARP1 (0.63) PARP1PARP2
Hydrochloric Acid SCHEMBL18614332 0.93 PARP1 (0.62) PARP1PARP2
Hydrochloric Acid SCHEMBL18614327 0.88 PARP1 (0.62) PARP1PARP2
SCHEMBL5621656 0.88 PARP1 (0.62) PARP1PARP2
SCHEMBL7706345 0.86 PARP1 (0.61) PARP1PARP2
SCHEMBL7706351 0.86 PARP1 (0.61) PARP1PARP2
Hydrochloric Acid SCHEMBL18614329 0.85 PARP1 (0.56) PARP1PARP2
SCHEMBL7705471 0.85 PARP1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39608-E1 Substituted benzimidazoles and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2007-05-01 US disclosed
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