SCHEMBL5203417

SCHEMBL5203417

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.53
KMT2A Q03164 2/20 0.50
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 0.47
MDM4 O15151 1/20 0.46
TP53 P04637 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
SCHEMBL31572027 0.90 MMP2 (0.48) CASP3KMT2AITGB3ITGA2BMDM4
SCHEMBL29455664 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL29528770 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL31276348 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL5967446 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL119637 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL119688 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL23880508 0.81 KMT2A (0.53) CASP3KMT2AMDM4TP53
SCHEMBL23880503 0.81 KMT2A (0.53) CASP3KMT2AMDM4TP53
SCHEMBL30254873 0.80 KMT2A (0.58) CASP3KMT2AMDM4TP53

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-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 EP disclosed
EP-1135374-B1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2006-09-06 EP disclosed
EP-1135374-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-09-26 EP disclosed
US-6204282-B1 TREATING CANCER, RETINOPATHY, ATHEROSCLEROSIS, VASCULAR RESTENOSIS, OR OSTEOPOROSIS. SCHERING CORPORATION 2001-03-20 US disclosed
WO-2000032578-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-06-08 WO disclosed