SCHEMBL7710973

SCHEMBL7710973

CC(O)=C(C#N)C(=O)Nc1ccccc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.55
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 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
LMNA P02545 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

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
SCHEMBL7710970 1.00 DHODH (0.55) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL7108586 0.80 NPC1 (0.53) ALDH1A1
SCHEMBL5914908 0.78 DHODH (0.71) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914906 0.78 MEN1 (0.70) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914892 0.78 DHODH (0.58) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914905 0.78 MEN1 (0.70) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914909 0.78 DHODH (0.71) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914893 0.78 DHODH (0.58) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914915 0.77 DHODH (0.57) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914914 0.77 DHODH (0.57) DHODHMEN1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365626-B1 LEFLUNOMIDE METABOLITE ANALOGS FOR TREATING IMPROPER PLATELET AGGREGATION; LEUKEMIA; LYMPHOMAS PARKER HUGHES INSTITUTE 2002-04-02 US disclosed