SCHEMBL7495239

SCHEMBL7495239

O=C(O)/C=C/c1ccc(NC(=O)c2cccc(NC3=NCCCS3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.67
ITGAV P06756 13/20 0.67
ITGA2B P08514 13/20 0.67
ITGB1 P05556 6/20 0.67
ITGB5 P18084 6/20 0.67
HPGD P15428 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
MCL1 Q07820 2/20 0.59
NPC1 O15118 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7495242 1.00 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498949 0.87 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498952 0.87 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495439 0.80 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495445 0.80 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL23455576 0.78 KMT2A (0.54) HPGDMAPTKMT2AMCL1NPC1
SCHEMBL30073941 0.78 KMT2A (0.54) HPGDMAPTKMT2AMCL1NPC1
SCHEMBL25214710 0.74 HPGD (0.85) HPGDMAPTKMT2AMCL1NPC1
SCHEMBL25201168 0.74 HPGD (0.85) HPGDMAPTKMT2AMCL1NPC1
SCHEMBL7506884 0.72 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5

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
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed