SCHEMBL358681

SCHEMBL358681

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.46
RBBP4 Q09028 1/20 0.46
SUZ12 Q15022 1/20 0.46
EZH2 Q15910 1/20 0.46
AEBP2 Q6ZN18 1/20 0.46
NR3C1 P04150 5/20 0.44
PARP1 P09874 4/20 0.43
GPR119 Q8TDV5 3/20 0.43
ALDH1A1 P00352 1/20 0.42
STS P08842 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL358920 0.90 NR3C1 (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL358670 0.90 PARP1 (0.52) NR3C1PARP1GPR119PRKCGPRKCB
SCHEMBL368905 0.86 PARP1 (0.49) NR3C1PARP1GPR119
SCHEMBL358653 0.85 PARP1 (0.47) NR3C1PARP1GPR119STS
SCHEMBL360298 0.81 PARP1 (0.47) PARP1
SCHEMBL359420 0.80 PARP1 (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL359678 0.79 PARP1 (0.47) PARP1ALDH1A1
SCHEMBL359239 0.79 PARP1 (0.51) NR3C1PARP1GPR119
SCHEMBL359223 0.77 PARP1 (0.49) PARP1GPR119
SCHEMBL30175636 0.76 LMNA (0.44) 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 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