SCHEMBL7340322

SCHEMBL7340322

N=C(N)Nc1cccc(C(=O)NCC(=O)NC2(OCC(=O)O)C=CC=CC2CCC(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
MAPK1 P28482 1/20 0.34
F10 P00742 2/20 0.33
PRSS1 P07477 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGB5 P18084 1/20 0.32
GAA P10253 1/20 0.32
TPSAB1 Q15661 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL7348070 0.86 HTT (0.38) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL7372592 0.79 ITGB3 (0.39) EPHX2ITGB3ITGA2BF10PRSS1
SCHEMBL7342053 0.78 ITGB3 (0.36) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL7380340 0.77 ITGB3 (0.37) EPHX2ITGB3ITGA2BSMN1; SMN2MEN1
SCHEMBL7343615 0.76 SMN1; SMN2 (0.38) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL7347196 0.75 HTT (0.37) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL7340450 0.74 HTT (0.37) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL6773153 0.73 ITGB3 (0.55) EPHX2HTTL3MBTL1ITGB3ITGA2B
SCHEMBL7346500 0.72 ITGB3 (0.60) HTTL3MBTL1ITGB3ITGA2BF10
SCHEMBL7339879 0.72 ITGB3 (0.43) EPHX2HTTL3MBTL1ITGB3ITGA2B

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