SCHEMBL18156312

SCHEMBL18156312

Cc1cccc2c(=O)[nH]c(-c3ccc(CN[C@H]4CCN(C(=O)OC(C)(C)C)C4)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.49
PARP1 P09874 7/20 0.49
PARP2 Q9UGN5 4/20 0.42
SCN9A Q15858 1/20 0.42
BRD4 O60885 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
USP30 Q70CQ3 3/20 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
SCHEMBL16625284 0.81 TNKS (0.62) TNKSPARP1PARP2
SCHEMBL16625203 0.81 TNKS (0.53) TNKSPARP1PARP2
SCHEMBL16625112 0.80 TNKS (0.69) TNKSPARP1GPR119
SCHEMBL16625281 0.80 TNKS (0.56) TNKSPARP1PARP2GPR119
SCHEMBL16625333 0.79 USP30 (0.63) TNKSPARP1GPR119USP30
SCHEMBL16625131 0.77 TNKS (0.65) TNKSPARP1GPR119
SCHEMBL16625212 0.77 TNKS (0.61) TNKSPARP1PARP2
SCHEMBL16625093 0.77 TNKS (0.52) TNKSPARP1GPR119
SCHEMBL20794854 0.77 GPR119 (0.52) GPR119USP30
SCHEMBL16617127 0.77 USP30 (0.55) TNKSPARP1GPR119USP30

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
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed