SCHEMBL360327

SCHEMBL360327

Cc1c2cccc(C(=O)NN(C)C)c2nn1C1(C)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 2/20 0.34
RAD52 P43351 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL358657 0.94 PARP1 (0.34) PARP1PARP2
SCHEMBL10172410 0.88 PARP1 (0.32) PARP1PARP2
SCHEMBL358818 0.86 RAD52 (0.46) PARP1RAD52
SCHEMBL12503399 0.84 PARP1 (0.37) PARP1PARP2
SCHEMBL359165 0.83 PARP1 (0.49) PARP1PARP2
SCHEMBL12503367 0.78 PARP1 (0.37) PARP1PARP2
SCHEMBL359582 0.77 PARP1 (0.48) PARP1PARP2
SCHEMBL10173013 0.75 RAD52 (0.43) PARP1RAD52
SCHEMBL27917078 0.73 PABPC1 (0.32)
SCHEMBL10172541 0.72 RAD52 (0.30) PARP1RAD52

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
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO claimed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed