SCHEMBL8619006

SCHEMBL8619006

N#CC(C(=O)Nc1ccc(C#Cc2ccc(F)cc2)cc1)=C(O)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.66
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
TP53 P04637 1/20 0.44
MAPK10 P53779 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PTPN11 Q06124 2/20 0.42
PAX8 Q06710 2/20 0.41
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL25813258 0.94 DHODH (0.74) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL27242987 0.94 DHODH (0.74) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL8614830 0.90 DHODH (0.69) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL8619026 0.88 DHODH (0.62) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL9017543 0.86 DHODH (0.65) DHODHRAB9AKMT2ALMNAKDM4E
SCHEMBL8614825 0.86 DHODH (0.65) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL16741993 0.85 DHODH (0.70) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL5049041 0.85 DHODH (0.70) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL6655226 0.85 DHODH (0.70) DHODHRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL8614827 0.85 DHODH (0.63) DHODHRAB9AKMT2ALMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632017-B1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-06 EP disclosed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US disclosed
EP-0632017-A1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-01-04 EP disclosed