SCHEMBL7340450

SCHEMBL7340450

CC1(NC(=O)CNC(=O)c2cccc(NC(=N)N)c2)C=CSC1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EPHX2 P34913 3/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL7340563 0.89 RXFP1 (0.35) HTTL3MBTL1SMN1; SMN2GAARXFP1
SCHEMBL7343615 0.81 SMN1; SMN2 (0.38) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL7340566 0.78 PTPRC (0.33) SMN1; SMN2ITGB3RXFP1KMT2AMEN1
SCHEMBL7348070 0.77 HTT (0.38) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL7345087 0.76 SMN1; SMN2 (0.38) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL6773153 0.75 ITGB3 (0.55) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL7340322 0.74 EPHX2 (0.37) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL7347196 0.73 HTT (0.37) HTTL3MBTL1SMN1; SMN2GAAITGB3
SCHEMBL6366986 0.73 PLA2G10 (0.47) HTTL3MBTL1SMN1; SMN2ITGB3ITGA2B
SCHEMBL27502754 0.72 ITGB3 (0.47) HTTL3MBTL1SMN1; SMN2GAAITGB3

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