SCHEMBL22966352

SCHEMBL22966352

N#COc1cccc(C(=O)c2ccc(Oc3ccc(C(=O)c4cccc(OC#N)c4)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.53
TNKS O95271 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
STS P08842 6/20 0.51
POLB P06746 1/20 0.49
AKR1C3 P42330 1/20 0.49
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL22966340 0.98 SRD5A2 (0.51) SRD5A2TNKSPARP15PARP14PARP10
SCHEMBL22966341 0.93 STS (0.54) SRD5A2TNKSPARP15PARP14PARP10
SCHEMBL25873150 0.87 TNKS (0.42) SRD5A2TNKSPARP15PARP14PARP10
SCHEMBL6056029 0.87 SRD5A2 (0.61) SRD5A2PARP10STSPOLBAKR1C3
SCHEMBL22966428 0.86 SRD5A2 (0.53) SRD5A2PARP15PARP14PARP10PARP2
SCHEMBL7729124 0.86 SRD5A2 (0.53) SRD5A2PARP15PARP14PARP10PARP2
SCHEMBL22966332 0.86 SRD5A2 (0.53) SRD5A2PARP15PARP14PARP10PARP2
SCHEMBL2868057 0.83 SRD5A2 (0.70) SRD5A2TNKSPARP15PARP14PARP10
SCHEMBL30643036 0.83 SRD5A2 (0.70) SRD5A2TNKSPARP15PARP14PARP10
SCHEMBL26624059 0.83 SRD5A2 (0.70) SRD5A2TNKSPARP15PARP14PARP10

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 3 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
US-20210038474-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INCORPORATED 2021-02-11 US disclosed