SCHEMBL8616015

SCHEMBL8616015

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.61
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
G6PD P11413 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
EGFR P00533 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SMO Q99835 1/20 0.40

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
SCHEMBL8615204 1.00 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8614825 0.88 DHODH (0.65) DHODHKMT2AMEN1MMP1MMP2
SCHEMBL8619026 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616025 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017547 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615901 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9160491 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619384 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615207 0.84 DHODH (0.60) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616028 0.80 DHODH (0.55) DHODHKMT2AMEN1G6PDCACNA1B

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 8 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
JP-7017936-A None JP disclosed
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
JP-H0717936-A COMPOUND ROUSSEL UCLAF 1995-01-20 JP 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