SCHEMBL4619224

SCHEMBL4619224

C=C(C(N)=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
PARP10 Q53GL7 3/20 0.58
PARP14 Q460N5 2/20 0.58
TNKS O95271 1/20 0.58
PARP15 Q460N3 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
HDAC8 Q9BY41 1/20 0.57
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.48
ALOX5 P09917 1/20 0.48
KAT6A Q92794 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KMO O15229 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9865063 0.84 PARP10 (0.67) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL30434552 0.82 PARP10 (0.83) AKR1C3PARP10PARP14TNKSPARP15
SCHEMBL2531295 0.82 PARP10 (0.83) AKR1C3PARP10PARP14TNKSPARP15
SCHEMBL1383788 0.81 PARP1 (0.69) NPC1MEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL28772951 0.81 PARP10 (0.80) AKR1C3PARP10PARP14TNKSPARP15
SCHEMBL28534850 0.81 AKR1C3 (0.60) AKR1C3PARP10PARP14TNKSPARP15
SCHEMBL9615921 0.80 FURIN (0.48) PARP10PARP14TNKSPARP15TNKS2
Methyl Alcohol SCHEMBL8784315 0.79 PARP10 (0.77) AKR1C3PARP10PARP14TNKSPARP15
Dimethylamine SCHEMBL9864604 0.79 PARP10 (0.59) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL21887184 0.78 AKR1C3 (0.78) AKR1C3PARP10PARP14TNKSPARP15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP claimed
EP-1896417-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-12 EP disclosed
WO-2007002584-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed