SCHEMBL8714995

SCHEMBL8714995

CC(O)=C(C#N)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.54
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 4/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL8714989 1.00 DHODH (0.54) DHODHALDH1A1MEN1KMT2ARAB9A
SCHEMBL13524429 0.83 DHODH (0.62) DHODHALDH1A1MEN1KMT2ARAB9A
SCHEMBL6071705 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL9206813 0.79 DHODH (0.58) DHODHALDH1A1MEN1KMT2ARAB9A
SCHEMBL8718146 0.79 DHODH (0.58) DHODHALDH1A1MEN1KMT2AMAPT
SCHEMBL8714895 0.79 DHODH (0.69) DHODHALDH1A1MEN1KMT2AMAPT
SCHEMBL8716086 0.79 DHODH (0.59) DHODHALDH1A1MEN1KMT2ARAB9A
SCHEMBL8714900 0.79 DHODH (0.69) DHODHALDH1A1MEN1KMT2AMAPT
SCHEMBL8718151 0.79 DHODH (0.58) DHODHALDH1A1MEN1KMT2AMAPT
SCHEMBL8716083 0.79 DHODH (0.59) DHODHALDH1A1MEN1KMT2ARAB9A

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 5 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
JP-5201948-A None JP disclosed
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
JP-H05201948-A N-PHENYL-2-CYANO-3-HYDROXYCROTONAMIDE DERIVATIVE AND ITS USE AD MEDICAMENT HAVING IMMUNOREGULATABILITY HOECHST AG 1993-08-10 JP disclosed