SCHEMBL7348024

SCHEMBL7348024

N=C(N)Nc1cccc(C(=O)NCC(=O)Nc2cccc(CCC(=O)O)c2S)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ITGAV P06756 3/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MDM4 O15151 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
MDM2 Q00987 1/20 0.39
F10 P00742 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL7348081 0.89 ITGB3 (0.43) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7340337 0.87 ITGB3 (0.41) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7337027 0.85 RXFP1 (0.43) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7340089 0.84 ANO1 (0.43) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7339409 0.83 ITGB3 (0.41) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7342272 0.83 ITGB3 (0.41) ITGB3ITGA2BL3MBTL1HTTITGAV
SCHEMBL7341988 0.83 L3MBTL1 (0.45) ITGB3ITGA2BL3MBTL1HTTITGAV
SCHEMBL7341242 0.82 MEN1 (0.42) ITGB3ITGA2BL3MBTL1HTTITGAV
SCHEMBL7347469 0.82 ITGB3 (0.40) ITGB3ITGA2BL3MBTL1HTTKCNK3
SCHEMBL7346205 0.82 ITGB3 (0.40) ITGB3ITGA2BL3MBTL1HTTITGAV

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