SCHEMBL7340337

SCHEMBL7340337

N=C(N)Nc1cccc(C(=O)NCC(=O)Nc2cccc(CCC(=O)O)c2OCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.41
ITGA2B P08514 5/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PKM P14618 1/20 0.39
ITGAV P06756 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ITGB1 P05556 2/20 0.38
MDM4 O15151 1/20 0.38
ITGA5 P08648 1/20 0.38

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
SCHEMBL7340369 0.88 HTT (0.39) ITGB3ITGA2BMAPK1HTTL3MBTL1
SCHEMBL7348081 0.88 ITGB3 (0.43) ITGB3ITGA2BHTTL3MBTL1KCNK3
SCHEMBL7348024 0.87 ITGB3 (0.42) ITGB3ITGA2BHTTL3MBTL1KCNK3
SCHEMBL7337396 0.86 MAPK1 (0.41) ITGB3ITGA2BMAPK1HTTL3MBTL1
SCHEMBL7337027 0.85 RXFP1 (0.43) ITGB3ITGA2BHTTL3MBTL1KCNK3
SCHEMBL7341988 0.83 L3MBTL1 (0.45) ITGB3ITGA2BHTTL3MBTL1ITGAV
SCHEMBL7340089 0.82 ANO1 (0.43) ITGB3ITGA2BHTTL3MBTL1KCNK3
SCHEMBL7339409 0.81 ITGB3 (0.41) ITGB3ITGA2BHTTL3MBTL1KCNK3
SCHEMBL7342272 0.81 ITGB3 (0.41) ITGB3ITGA2BHTTL3MBTL1ITGAV
SCHEMBL7341242 0.81 MEN1 (0.42) ITGB3ITGA2BHTTL3MBTL1ITGAV

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