SCHEMBL905302

SCHEMBL905302

C/C(O)=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.65
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
THRB P10828 1/20 0.51
BLM P54132 1/20 0.51
BTK Q06187 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL5914884 1.00 DHODH (0.65) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL5914882 1.00 DHODH (0.65) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL9093054 0.83 ALDH1A1 (0.50) DHODHALDH1A1GAAKMT2ALMNA
SCHEMBL5914892 0.81 DHODH (0.58) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL5914893 0.81 DHODH (0.58) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL16741986 0.79 DHODH (1.00) DHODH
SCHEMBL16741987 0.79 DHODH (1.00) DHODH
SCHEMBL3415036 0.79 RAB9A (0.58) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL5914906 0.78 MEN1 (0.70) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL5914905 0.78 MEN1 (0.70) DHODHALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017125841-A1 PHARMACEUTICAL COMPOSITIONS OF TERIFLUNOMIDE EMCURE PHARMACEUTICALS LIMITED (IN) 2017-07-27 WO disclosed
EP-0595133-B1 Prodrugs, their preparation and use as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2011-01-05 EP disclosed
EP-1244442-B1 METHOD FOR DETECTING NUCLEOTIDE SYNTHESIS INHIBITORS HAVING FEWER SIDE EFFECTS AVENTIS PHARMA GMBH (DE) 2004-09-15 EP disclosed
US-6716411-B2 CONTROLLING DOSAGE; ANTICANCER AGENT AVENTIS PHARMA DEUSTSCHLAND GMBH (DE) 2004-04-06 US disclosed
US-6146658-A ADMINISTERING A GLYCOSYL-SPACER-DRUG COMPOUND WHERE THE GLYCOSYL IS A SACCHARIDE WHICH CAN BE ENZYMATICALLY CLEAVED; DRUG IS ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE OR ANTITUMOR AGENT WHICH HYDROXYL OR AMINO GROUP; SELF-ELIMINATING SPACER HOECHST AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
US-5955100-A TREATMENT OF MALIGNANT TUMORS, INFLAMMATORY DISEASES, OR AUTOIMMUNE DISEASES BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
EP-0595133-A2 Prodrugs, their preparation and use as medicaments BEHRINGWERKE Aktiengesellschaft (DE) 1994-05-04 EP disclosed