SCHEMBL7378623

SCHEMBL7378623

Cc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
ITGB3 P05106 7/20 0.56
ITGA2B P08514 7/20 0.56
ITGAV P06756 5/20 0.56
ITGB1 P05556 2/20 0.49
ITGB5 P18084 2/20 0.49
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
NR1H4 Q96RI1 1/20 0.46
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
FKBP5 Q13451 1/20 0.45
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KCNH2 Q12809 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL7380122 0.90 ITGB3 (0.56) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7458369 0.88 ITGB3 (0.72) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7376558 0.87 ITGB3 (0.70) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7378628 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7379949 0.86 ITGB3 (0.51) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7377063 0.85 ITGB3 (0.47) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7508093 0.84 ITGB3 (0.51) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7373419 0.84 ITGB3 (0.66) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7861970 0.82 ITGB3 (0.76) SMN1; SMN2ITGB3ITGA2BITGAVITGB1
SCHEMBL7378803 0.82 ITGB3 (0.50) SMN1; SMN2ITGB3ITGA2BITGAVITGB1

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed