SCHEMBL8616028

SCHEMBL8616028

CN(C(=O)c1ccc(NC(=O)C(C#N)=C(O)C2CC2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.55
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
G6PD P11413 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
CYP19A1 P11511 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8616025 0.85 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615207 0.83 DHODH (0.60) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619026 0.81 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619384 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615901 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616015 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9160491 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017547 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615204 0.80 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL18118641 0.76 DHODH (0.70) 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 2 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
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