SCHEMBL7340934

SCHEMBL7340934

N=C(N)Nc1cccc(C(=O)NCC(=O)NC2(Br)C=C(Cl)C=C(CCC(=O)O)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ITGB1 P05556 2/20 0.34
ITGA5 P08648 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 2/20 0.33
PRSS1 P07477 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 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
SCHEMBL7348225 0.91 ITGB3 (0.38) ITGB3ITGA2BITGB1SMN1; SMN2LMNA
SCHEMBL7348823 0.90 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGA5SMN1; SMN2
SCHEMBL7340943 0.88 ITGB1 (0.34) ITGB3ITGA2BITGB1ITGA5SMN1; SMN2
SCHEMBL7341117 0.81 ITGB3 (0.39) ITGB3ITGA2BITGB1SMN1; SMN2LMNA
SCHEMBL7346229 0.81 ITGB3 (0.36) ITGB3ITGA2BITGB1SMN1; SMN2LMNA
SCHEMBL7347252 0.81 ITGB3 (0.38) ITGB3ITGA2BITGB1ITGA5SMN1; SMN2
SCHEMBL7341068 0.80 ITGB3 (0.36) ITGB3ITGA2BITGB1SMN1; SMN2LMNA
SCHEMBL7348232 0.79 ITGB3 (0.33) ITGB3ITGA2BITGB1ITGA5SMN1; SMN2
SCHEMBL7348597 0.78 ITGB3 (0.38) ITGB3ITGA2BITGB1SMN1; SMN2LMNA
SCHEMBL7348831 0.78 ITGB3 (0.33) ITGB3ITGA2BITGB1ITGA5SMN1; SMN2

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