SCHEMBL8620911

SCHEMBL8620911

N#CC(C(=O)Nc1ccc(CCc2ccccc2)cc1)=C(O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.64
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
G6PD P11413 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL9129374 1.00 DHODH (0.64) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8619384 0.90 DHODH (0.61) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8614000 0.85 DHODH (0.68) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8615187 0.85 DHODH (0.68) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8615901 0.82 DHODH (0.61) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9157076 0.82 DHODH (0.64) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL6655226 0.81 DHODH (0.70) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL27242987 0.81 DHODH (0.74) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL18118641 0.81 DHODH (0.70) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL16741993 0.81 DHODH (0.70) DHODHMEN1KMT2AG6PDCACNA1B

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