SCHEMBL8619384

SCHEMBL8619384

N#CC(C(=O)Nc1ccc(CCc2ccc(Cl)cc2)cc1)=C(O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.61
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
G6PD P11413 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
CNR1 P21554 4/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 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
SCHEMBL8615901 0.93 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9129374 0.90 DHODH (0.64) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8620911 0.90 DHODH (0.64) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616025 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619026 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017547 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615204 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9160491 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616015 0.85 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615207 0.84 DHODH (0.60) 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 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