SCHEMBL7347208

SCHEMBL7347208

N=C(N)Nc1cccc(C(=O)NCC(=O)Nc2c(Cl)cc(CCC(=O)O)c(Cl)c2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 5/20 0.41
ITGA2B P08514 4/20 0.41
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGAV P06756 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
F10 P00742 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA5 P08648 2/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL7343459 0.89 KCNK3 (0.40) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL4336179 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7346981 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7347231 0.87 LMNA (0.38) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7338107 0.84 ITGB3 (0.40) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7341242 0.83 MEN1 (0.42) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7348081 0.82 ITGB3 (0.43) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7339620 0.81 ITGB3 (0.41) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7339858 0.81 ITGB3 (0.41) SMN1; SMN2LMNAMAPTITGB3ITGA2B
SCHEMBL7348024 0.81 ITGB3 (0.42) SMN1; SMN2LMNAMAPTITGB3ITGA2B

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