SCHEMBL7340290

SCHEMBL7340290

N=C(N)Nc1cccc(C(=O)NCC(=O)Nc2ccoc2CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 2/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
F10 P00742 1/20 0.38
F2 P00734 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MDM4 O15151 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 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
SCHEMBL7340309 0.87 KMT2A (0.38) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7350524 0.85 ITGB3 (0.42) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7346500 0.82 ITGB3 (0.60) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7348081 0.82 ITGB3 (0.43) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7337027 0.81 RXFP1 (0.43) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7348024 0.81 ITGB3 (0.42) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL6777380 0.81 SMN1; SMN2 (0.44) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7340089 0.80 ANO1 (0.43) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7342019 0.80 RXFP1 (0.45) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL6783108 0.79 ITGB3 (0.41) ITGB3ITGA2BHTTL3MBTL1MEN1

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 4 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
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 disclosed
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 disclosed