SCHEMBL7348597

SCHEMBL7348597

N=C(N)Nc1cccc(C(=O)NCC(=O)NC2(Cl)C=CC=C(CCC(=O)O)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 4/20 0.38
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 1/20 0.34
EPHX2 P34913 2/20 0.33
LMNA P02545 2/20 0.33
ITGAV P06756 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGB5 P18084 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGA2 P17301 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
GAA P10253 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
SCHEMBL7348610 0.87 ITGB3 (0.33) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7348795 0.87 PPARG (0.43) HTTL3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL7341117 0.86 ITGB3 (0.39) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7347586 0.86 ITGB3 (0.36) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7342053 0.86 ITGB3 (0.36) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7340934 0.78 ITGB3 (0.37) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7347252 0.77 ITGB3 (0.38) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7348225 0.77 ITGB3 (0.38) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7348823 0.77 ITGB3 (0.37) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7343452 0.75 ITGB3 (0.37) ITGB3ITGA2BHTTL3MBTL1SMN1; 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