SCHEMBL8616025

SCHEMBL8616025

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.62
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
G6PD P11413 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
EPHX2 P34913 2/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SRD5A2 P31213 1/20 0.40
IDO1 P14902 1/20 0.39
CNR1 P21554 1/20 0.39
RAB9A P51151 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
SCHEMBL8615207 0.90 DHODH (0.60) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619026 0.88 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9160491 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619384 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017547 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616015 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615204 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8615901 0.86 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8616028 0.85 DHODH (0.55) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9080225 0.82 DHODH (0.62) 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