SCHEMBL7499570

SCHEMBL7499570

N=C(N)Nc1cccc(CCC(=O)c2cccc(C=CC(=O)O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
HDAC4 P56524 3/20 0.43
MEF2D Q14814 2/20 0.43
SIRT1 Q96EB6 1/20 0.42
PARP1 P09874 2/20 0.42
PARP15 Q460N3 2/20 0.42
PARP14 Q460N5 2/20 0.42
PARP10 Q53GL7 2/20 0.42
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL7499565 1.00 PKM (0.52) PKMITGB3ITGA2BL3MBTL1AKR1C3
SCHEMBL7496407 0.97 PKM (0.53) PKMITGB3ITGA2BL3MBTL1AKR1C3
SCHEMBL7496410 0.97 PKM (0.53) PKMITGB3ITGA2BL3MBTL1AKR1C3
SCHEMBL7507365 0.85 PKM (0.45) PKMITGB3ITGA2BL3MBTL1AKR1C3
SCHEMBL7496416 0.82 PKM (0.46) PKMITGB3ITGA2BL3MBTL1AKR1C3
SCHEMBL7504977 0.82 PKM (0.62) PKMITGB3ITGA2BL3MBTL1HDAC4
SCHEMBL7497321 0.80 SENP1 (0.59) PKML3MBTL1AKR1C3AKR1C2HDAC4
SCHEMBL7497317 0.80 SENP1 (0.59) PKML3MBTL1AKR1C3AKR1C2HDAC4
SCHEMBL7502960 0.79 PKM (0.59) PKML3MBTL1HDAC4SIRT1PARP1
SCHEMBL7502954 0.79 PKM (0.59) PKML3MBTL1HDAC4SIRT1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed