SCHEMBL7335166

SCHEMBL7335166

CN1Cc2cc(NC(=O)Cc3nc4ccccc4[nH]3)ccc2CC(CC(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGAV P06756 15/20 0.49
ITGA2B P08514 4/20 0.49
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1G O43497 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
SCHEMBL6951803 0.82 ITGB3 (0.73) ITGB3ITGAVITGA2BTSHR
SCHEMBL7077881 0.79 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL7659474 0.78 ITGB3 (0.49) ITGB3ITGAVITGA2BMEN1POLB
SCHEMBL7437624 0.77 ALDH1A1 (0.48) ITGB3ITGAVITGA2BALDH1A1TDP1
SCHEMBL8328260 0.77 ALDH1A1 (0.50) ITGB3ITGAVALDH1A1TDP1MEN1
SCHEMBL7545780 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2BKMT2ALMNA
SCHEMBL7541901 0.73 ITGB3 (0.51) ITGB3ITGAVITGA2BALDH1A1TSHR
SCHEMBL7539970 0.72 ITGB3 (0.46) ITGB3ITGAVITGA2BTDP1
SCHEMBL7545503 0.72 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNA
SCHEMBL15685943 0.71 ALDH1A1 (0.74) ALDH1A1TDP1MEN1POLBKMT2A

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-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed