SCHEMBL25873148

SCHEMBL25873148

N#COc1ccc(Oc2ccc(C(=O)c3cccc(N=C=O)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
TNKS O95271 1/20 0.40
PARP14 Q460N5 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
STS P08842 6/20 0.39
SRD5A2 P31213 3/20 0.39
AKR1C3 P42330 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25873150 0.96 TNKS (0.42) POLBPARP15PARP10PARP2TNKS
SCHEMBL17576537 0.96 STS (0.42) POLBPARP15PARP10PARP2TNKS
SCHEMBL22966353 0.91 POLB (0.47) POLBPARP15PARP10PARP2TNKS
SCHEMBL22966339 0.88 POLB (0.44) POLBPARP15PARP10PARP2TNKS
SCHEMBL25873149 0.87 SRD5A2 (0.41) POLBPARP15PARP10PARP2PARP14
SCHEMBL25873146 0.87 SRD5A2 (0.41) POLBPARP15PARP10PARP2PARP14
SCHEMBL22966340 0.84 SRD5A2 (0.51) POLBPARP15PARP10PARP2TNKS
SCHEMBL17576543 0.83 FURIN (0.37) PARP15PARP10PARP2TNKSPARP14
SCHEMBL22966352 0.82 SRD5A2 (0.53) POLBPARP15PARP10PARP2TNKS
SCHEMBL17576542 0.82 CYP3A4 (0.38) PARP15PARP10PARP2STSSRD5A2

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
US-20240016699-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INC (US) 2024-01-18 US disclosed
US-11707411-B2 Pharmaceutical packages with coatings comprising polycyanurates CORNING INCORPORATED (US) 2023-07-25 US disclosed