SCHEMBL7340904

SCHEMBL7340904

[CH2]CNC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
PRSS1 P07477 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL7339143 0.87 RXFP1 (0.48) F10PRSS1HTTL3MBTL1MEN1
SCHEMBL23489334 0.86 F10 (0.51) F10PRSS1HTTL3MBTL1MEN1
SCHEMBL7343748 0.85 MEN1 (0.46) F10PRSS1HTTL3MBTL1MEN1
SCHEMBL6773153 0.84 ITGB3 (0.55) F10PRSS1HTTL3MBTL1MEN1
SCHEMBL7343738 0.84 PLK4 (0.47) F10PRSS1HTTL3MBTL1MEN1
SCHEMBL7372871 0.84 PLK4 (0.50) MEN1KMT2ARXFP1GAAPLK4
SCHEMBL6366986 0.84 PLA2G10 (0.47) HTTL3MBTL1MEN1KMT2AITGB3
SCHEMBL7840867 0.83 ITGB3 (0.46) F10PRSS1HTTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6773326 0.83 PLA2G10 (0.46) HTTL3MBTL1MEN1KMT2AITGB3
Hydrochloric Acid SCHEMBL6368863 0.83 PLA2G10 (0.46) HTTL3MBTL1MEN1KMT2AITGB3

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