SCHEMBL359741

SCHEMBL359741

CC1(n2nc3c(C(N)=O)cccc3c2Br)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.47
PARP2 Q9UGN5 5/20 0.47
TNKS O95271 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP12 Q9H0J9 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
RPS6KB1 P23443 3/20 0.37
AURKA O14965 2/20 0.37

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
SCHEMBL10172635 0.94 PARP1 (0.45) PARP1PARP2TNKSPARP14PARP10
SCHEMBL359452 0.93 PARP1 (0.48) PARP1PARP2TNKSPARP14PARP10
SCHEMBL359582 0.88 PARP1 (0.48) PARP1PARP2TNKSPARP14PARP10
SCHEMBL360311 0.85 PARP1 (0.46) PARP1PARP2TNKSPARP14PARP10
SCHEMBL10172411 0.81 PARP1 (0.46) PARP1PARP2TNKSPARP14PARP10
SCHEMBL359165 0.81 PARP1 (0.49) PARP1PARP2TNKSPARP14PARP10
SCHEMBL10173011 0.79 PARP1 (0.44) PARP1PARP2TNKSPARP14PARP10
SCHEMBL358701 0.78 PARP1 (0.47) PARP1PARP2TNKSPARP14PARP10
SCHEMBL12503367 0.77 PARP1 (0.37) PARP1PARP2
SCHEMBL359228 0.75 PARP1 (0.48) PARP1

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
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