SCHEMBL8718151

SCHEMBL8718151

CC(O)=C(C#N)C(=O)Nc1ccc(C#N)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.58
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
BLM P54132 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
BTK Q06187 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL8718146 1.00 DHODH (0.58) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL13524429 0.87 DHODH (0.62) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL12117514 0.84 ALDH1A1 (0.50) DHODHALDH1A1BLMTHRBGAA
SCHEMBL8714895 0.83 DHODH (0.69) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL8714900 0.83 DHODH (0.69) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL9206813 0.83 DHODH (0.58) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL8716083 0.83 DHODH (0.59) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL8716086 0.83 DHODH (0.59) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL8715471 0.83 DHODH (0.58) DHODHALDH1A1MEN1KMT2ABLM
SCHEMBL13530070 0.82 DHODH (0.57) DHODHALDH1A1MEN1KMT2ABLM

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-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
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