SCHEMBL8614827

SCHEMBL8614827

C=C(c1ccc(F)cc1)c1ccc(NC(=O)C(C#N)=C(O)C2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.63
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
MAPK10 P53779 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL27242987 0.91 DHODH (0.74) DHODHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL25813258 0.91 DHODH (0.74) DHODHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8615207 0.88 DHODH (0.60) DHODHKMT2ALMNAHTTTP53
SCHEMBL8614830 0.88 DHODH (0.69) DHODHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8619006 0.85 DHODH (0.66) DHODHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL9017543 0.84 DHODH (0.65) DHODHKMT2ALMNATP53MAPK10
SCHEMBL8614825 0.84 DHODH (0.65) DHODHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL9017616 0.80 DHODH (0.59) DHODHKMT2ALMNATP53MAPK10
SCHEMBL9017562 0.80 DHODH (0.59) DHODHTP53MAPK10CYP1A2CYP2C9
SCHEMBL9310653 0.80 DHODH (0.58) DHODHKMT2ALMNATP53MAPK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US claimed
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