SCHEMBL357957

SCHEMBL357957

CC(C)(C)OC(=O)N1CCCC(C)(n2nc3c(C(N)=O)cccc3c2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.44
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 6/20 0.38
JAK1 P23458 6/20 0.38
CYP11B2 P19099 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 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
SCHEMBL359421 0.94 PARP1 (0.45) PARP1JAK2JAK1CYP11B2
SCHEMBL359228 0.89 PARP1 (0.48) PARP1JAK2JAK1CYP11B2
SCHEMBL359451 0.75 PARP1 (0.51) PARP1USP30JAK2JAK1PIK3CA
SCHEMBL10172635 0.75 PARP1 (0.45) PARP1
SCHEMBL359239 0.74 PARP1 (0.51) PARP1
SCHEMBL359452 0.74 PARP1 (0.48) PARP1
SCHEMBL359388 0.73 PARP1 (0.50) PARP1JAK2JAK1PIK3CA
SCHEMBL359741 0.72 PARP1 (0.47) PARP1
SCHEMBL357915 0.71 PARP1 (0.43) PARP1USP30
SCHEMBL361173 0.70 PARP1 (0.41) PARP1USP30

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