SCHEMBL21318686

SCHEMBL21318686

CNC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cnn(C)c3C)CC1)C2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.57
PARP2 Q9UGN5 7/20 0.54

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
SCHEMBL1866054 0.89 PARP1 (0.72) PARP1PARP2
SCHEMBL21318540 0.84 PARP1 (0.79) PARP1PARP2
SCHEMBL21318541 0.84 PARP1 (0.58) PARP1PARP2
SCHEMBL21318523 0.80 PARP1 (0.79) PARP1PARP2
SCHEMBL21318558 0.79 PARP2 (0.58) PARP1PARP2
SCHEMBL21318684 0.79 PARP1 (0.77) PARP1PARP2
SCHEMBL21318525 0.79 PARP1 (0.57) PARP1PARP2
SCHEMBL21318556 0.78 PARP1 (0.79) PARP1PARP2
SCHEMBL21318450 0.78 PARP1 (0.59) PARP1PARP2
SCHEMBL21318543 0.78 POLB (0.66) 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
EP-2454236-B1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-09-04 EP disclosed