SCHEMBL7370429

SCHEMBL7370429

CN1Cc2ccccc2N(C(=O)NCC2(c3ccccc3)N=CC=N2)C(CC(=O)O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
ITGB3 P05106 15/20 0.34
ITGAV P06756 15/20 0.34
ITGA2B P08514 10/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL8525562 0.73 ITGB3 (0.39) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7910284 0.73 ITGB3 (0.39) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7079739 0.72 GAA (0.47) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7545624 0.70 MEN1 (0.39) ITGB3ITGAVITGA2BMEN1ALDH1A1
SCHEMBL7441028 0.65 ITGB3 (0.45) ITGB3ITGAVITGA2BCACNA1GCACNA1H
SCHEMBL7399894 0.64 ITGB1 (0.41) ITGB3ITGAVITGA2BCACNA1GCACNA1H
SCHEMBL7798122 0.64 HSD17B3 (0.39) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7338319 0.63 PARP1 (0.44) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7544674 0.63 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL7441878 0.61 ITGB3 (0.53) ITGB3ITGAVITGA2B

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
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP claimed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed