SCHEMBL358920

SCHEMBL358920

COC(=O)c1cccc2c(Br)n(C3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.43
BACE1 P56817 1/20 0.42
PARP1 P09874 5/20 0.42
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
STS P08842 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
FPR2 P25090 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL358681 0.90 EED (0.46) NR3C1PARP1EEDRBBP4SUZ12
SCHEMBL359239 0.89 PARP1 (0.51) NR3C1BACE1PARP1GPR119
SCHEMBL359388 0.83 PARP1 (0.50) PARP1
SCHEMBL358670 0.80 PARP1 (0.52) NR3C1PARP1GPR119
SCHEMBL359451 0.78 PARP1 (0.51) PARP1FPR2
SCHEMBL359420 0.78 PARP1 (0.45) BACE1PARP1EEDRBBP4SUZ12
SCHEMBL368905 0.77 PARP1 (0.49) NR3C1PARP1GPR119
SCHEMBL359223 0.76 PARP1 (0.49) PARP1GPR119
SCHEMBL358653 0.76 PARP1 (0.47) NR3C1PARP1GPR119STS
SCHEMBL30175636 0.74 LMNA (0.44) PARP1MAPT

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