SCHEMBL7347196

SCHEMBL7347196

N=C(N)Nc1cccc(C(=O)NCC(=O)NC2(Cl)C(Cl)=CC(Cl)=CC2CCC(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 3/20 0.36
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 2/20 0.34
PRSS1 P07477 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
MDM4 O15151 1/20 0.32
ITGAV P06756 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL7343452 0.78 ITGB3 (0.37) HTTL3MBTL1ITGB3ITGA2BSMN1; SMN2
SCHEMBL7348070 0.78 HTT (0.38) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7343615 0.77 SMN1; SMN2 (0.38) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7341117 0.76 ITGB3 (0.39) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7340322 0.75 EPHX2 (0.37) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7346229 0.74 ITGB3 (0.36) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL6773153 0.74 ITGB3 (0.55) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7340450 0.73 HTT (0.37) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL7340934 0.73 ITGB3 (0.37) HTTL3MBTL1ITGB3ITGA2BEPHX2
SCHEMBL6366986 0.73 PLA2G10 (0.47) HTTL3MBTL1ITGB3ITGA2BSMN1; SMN2

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed