SCHEMBL8614830

SCHEMBL8614830

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.69
TP53 P04637 1/20 0.46
MAPK10 P53779 1/20 0.46
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN1 P18031 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
G6PD P11413 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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 0.96 DHODH (0.74) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL27242987 0.96 DHODH (0.74) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL8619006 0.90 DHODH (0.66) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL8614000 0.89 DHODH (0.68) DHODHRAB9APTPN1KMT2AMEN1
SCHEMBL8615187 0.89 DHODH (0.68) DHODHRAB9APTPN1KMT2AMEN1
SCHEMBL8614825 0.89 DHODH (0.65) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL9017543 0.89 DHODH (0.65) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL8614827 0.88 DHODH (0.63) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL9017562 0.84 DHODH (0.59) DHODHTP53MAPK10RAB9AALDH1A1
SCHEMBL9017616 0.84 DHODH (0.59) DHODHTP53MAPK10RAB9AALDH1A1

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