SCHEMBL8714895

SCHEMBL8714895

C/C(O)=C(\C#N)C(=O)Nc1ccc(Cl)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.69
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
THRB P10828 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
BTK Q06187 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL8714900 1.00 DHODH (0.69) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL6652261 0.89 DHODH (0.72) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL6652259 0.89 DHODH (0.72) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL13524429 0.87 DHODH (0.62) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL9206813 0.83 DHODH (0.58) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL8716083 0.83 DHODH (0.59) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL8716086 0.83 DHODH (0.59) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL8718151 0.83 DHODH (0.58) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL8718146 0.83 DHODH (0.58) DHODHMEN1KMT2AALDH1A1THRB
SCHEMBL8715471 0.83 DHODH (0.58) DHODHMEN1KMT2AALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538783-B1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AG (DE) 1995-09-27 EP claimed
EP-0538783-A1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP claimed
US-5773470-A TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
US-5747664-A N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
EP-0538783-B1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AG (DE) 1995-09-27 EP disclosed
EP-0538783-A1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed