SCHEMBL7376887

SCHEMBL7376887

N=C(N)Nc1cccc(C(=O)Nc2ccc(SCC(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.46
HPSE Q9Y251 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7469355 0.92 APEX1 (0.51) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL7449520 0.84 GAA (0.47) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL7457465 0.81 ALDH1A1 (0.67) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL7373419 0.80 ITGB3 (0.66) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL9303751 0.79 ITGB3 (0.62) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL2834336 0.79 ITGB3 (0.58) KMT2AITGB3ITGA2BPOLB
SCHEMBL7377695 0.79 ITGB3 (0.49) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL7372766 0.79 ITGB3 (0.67) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL7469348 0.78 KMT2A (0.50) KMT2AMEN1POLBNPC1LMNA
SCHEMBL7373141 0.78 KMT2A (0.51) KMT2AMEN1ITGB3ITGA2BPOLB

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