Fumaric Acid

Fumaric Acid

SCHEMBL9759626

C=CCNC(=S)c1ccc2c(c1)N(C(CC)N1CC=CC1)c1ccccc1S2.O=C(O)C=CC(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 3/20 0.40
MEN1 known ✓ O00255 2/20 0.34
CHRM2 known ✓ P08172 2/20 0.33
HTR1A known ✓ P08908 2/20 0.33
DRD2 known ✓ P14416 2/20 0.33
ADRA1A known ✓ P35348 2/20 0.33
KCNH2 known ✓ Q12809 2/20 0.33
ADRA2B known ✓ P18089 1/20 0.33
ADRA2C known ✓ P18825 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
HTR2A known ✓ P28223 1/20 0.33
HTR2C known ✓ P28335 1/20 0.33
HRH1 known ✓ P35367 1/20 0.33
HTR2B known ✓ P41595 1/20 0.33
MTOR known ✓ P42345 1/20 0.33
ADRA2A known ✓ P08913 1/20 0.32
DRD1 known ✓ P21728 1/20 0.32
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A4 known ✓ P31645 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32

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
SCHEMBL9334139 0.94 KMT2A (0.40) KMT2ARXFP1NOX1MAPTLMNA
Fumaric Acid SCHEMBL9758790 0.92 KMT2A (0.41) KMT2ARXFP1NOX1MAPTLMNA
Fumaric Acid SCHEMBL9759348 0.90 BCHE (0.40) KMT2ANOX1MAPTLMNAMAPK1
SCHEMBL9332105 0.87 KMT2A (0.45) KMT2ARXFP1NOX1MAPTLMNA
Fumaric Acid SCHEMBL9759619 0.85 KMT2A (0.40) KMT2ARXFP1NOX1MAPTLMNA
Fumaric Acid SCHEMBL9759629 0.85 KMT2A (0.40) KMT2ARXFP1NOX1MAPTLMNA
Fumaric Acid SCHEMBL9758663 0.83 LMNA (0.42) KMT2ARXFP1MAPTLMNAMEN1
SCHEMBL9759838 0.82 BCHE (0.41) KMT2ANOX1MAPTLMNAMAPK1
Fumaric Acid SCHEMBL9759304 0.79 GFER (0.35) KMT2ANOX1MAPTLMNAMAPK1
SCHEMBL9331847 0.78 KMT2A (0.45) KMT2ARXFP1NOX1MAPTLMNA

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed