SCHEMBL7449520

SCHEMBL7449520

NN=CNc1cccc(C(=O)Nc2ccc(SCC(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7376887 0.84 KMT2A (0.51) GAAITGB3ITGA2BKMT2AMEN1
SCHEMBL7457481 0.83 NR1H4 (0.67) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7377702 0.81 ITGB3 (0.47) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7373424 0.81 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7469361 0.80 KMT2A (0.44) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7378119 0.80 MEN1 (0.47) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7378959 0.80 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7378626 0.79 ITGB3 (0.51) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7864215 0.79 HPSE (0.60) ITGB3ITGA2BKMT2AMEN1NR1H4
SCHEMBL7457204 0.79 ITGB3 (0.53) ITGB3ITGA2BKMT2AMEN1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed