SCHEMBL5700769

SCHEMBL5700769

COC(=O)C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.60
ITGB1 P05556 15/20 0.60
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5700777 1.00 ITGA4 (0.60) ITGA4ITGB1KMT2AKDM4EALDH1A1
SCHEMBL5700916 0.94 ITGB1 (0.66) ITGA4ITGB1KMT2AKDM4EALDH1A1
SCHEMBL5700922 0.94 ITGB1 (0.66) ITGA4ITGB1KMT2AKDM4EALDH1A1
SCHEMBL5700952 0.86 ITGB1 (0.70) ITGA4ITGB1KMT2AALDH1A1MEN1
SCHEMBL5700947 0.86 ITGB1 (0.70) ITGA4ITGB1KMT2AALDH1A1MEN1
SCHEMBL5700883 0.83 ITGB1 (0.61) ITGA4ITGB1KMT2AMEN1
SCHEMBL5700888 0.83 ITGB1 (0.61) ITGA4ITGB1KMT2AMEN1
SCHEMBL5700872 0.81 ITGB1 (0.66) ITGA4ITGB1KMT2AMEN1
SCHEMBL5705101 0.81 ITGB1 (0.76) ITGA4ITGB1KMT2AALDH1A1MEN1
SCHEMBL5705104 0.81 ITGB1 (0.76) ITGA4ITGB1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed