SCHEMBL7348232

SCHEMBL7348232

NN=CNc1cccc(C(=O)NCC(=O)NC2(Br)C=C(Br)C=C(CCC(=O)O)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.33
ITGB1 P05556 5/20 0.33
ITGA5 P08648 5/20 0.33
ITGAV P06756 4/20 0.33
MDM4 O15151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ITGA2B P08514 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.31
MDM2 Q00987 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7340943 0.91 ITGB1 (0.34) ITGB3ITGB1ITGA5ITGAVMDM4
SCHEMBL7348831 0.91 ITGB3 (0.33) ITGB3ITGB1ITGA5ITGAVMDM4
SCHEMBL7348225 0.88 ITGB3 (0.38) ITGB3ITGB1ITGAVGAAITGA2B
SCHEMBL7336943 0.82 NPC1 (0.33) ITGB3ITGB1ITGA5ITGAVMDM4
SCHEMBL7347263 0.82 ITGB3 (0.34) ITGB3ITGB1ITGA5ITGAVMDM4
SCHEMBL7341076 0.81 SMN1; SMN2 (0.36) ITGB3ITGAVNPC1RAB9AITGA2B
SCHEMBL7403130 0.80 HTT (0.36) ITGB3ITGB1ITGA5ITGAVL3MBTL1
SCHEMBL7341130 0.79 KMT2A (0.35) ITGB3ITGB1ITGA5ITGAVMDM4
SCHEMBL7348823 0.79 ITGB3 (0.37) ITGB3ITGB1ITGA5ITGAVGAA
SCHEMBL7340934 0.79 ITGB3 (0.37) ITGB3ITGB1ITGA5ITGAVGAA

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