SCHEMBL7373141

SCHEMBL7373141

N=C(N)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)CC(=O)O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
POLB P06746 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PRMT1 Q99873 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL7595772 0.92 MEN1 (0.49) KMT2AMEN1ITGB3ITGA2BNPC1
SCHEMBL7378119 0.85 MEN1 (0.47) KMT2AMEN1ITGB3ITGA2BCA1
SCHEMBL7457465 0.81 ALDH1A1 (0.67) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL2836334 0.80 ITGB3 (0.52) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL7372864 0.79 KMT2A (0.57) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL7595761 0.79 KMT2A (0.51) KMT2AMEN1POLBCA1CA2
SCHEMBL7373419 0.79 ITGB3 (0.66) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL9303751 0.79 ITGB3 (0.62) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL7376887 0.78 KMT2A (0.51) KMT2AMEN1ITGB3ITGA2BPOLB
SCHEMBL7372766 0.78 ITGB3 (0.67) KMT2AMEN1ITGB3ITGA2BNPC1

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