SCHEMBL8614825

SCHEMBL8614825

N#CC(C(=O)Nc1ccc(/C=C/c2ccc(F)cc2)cc1)=C(O)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.65
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
MAPK10 P53779 1/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
EGFR P00533 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 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
SCHEMBL27242987 0.92 DHODH (0.74) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL25813258 0.92 DHODH (0.74) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL8614830 0.89 DHODH (0.69) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL8615204 0.88 DHODH (0.61) DHODHRAB9AALDH1A1TP53MMP1
SCHEMBL8616015 0.88 DHODH (0.61) DHODHRAB9AALDH1A1TP53MMP1
SCHEMBL8619006 0.86 DHODH (0.66) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL9017543 0.85 DHODH (0.65) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL8614827 0.84 DHODH (0.63) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL9017616 0.81 DHODH (0.59) DHODHRAB9AALDH1A1TP53MAPK10
SCHEMBL9017562 0.81 DHODH (0.59) DHODHRAB9AALDH1A1TP53MAPK10

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 6 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 claimed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US claimed
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 claimed
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