Fumaric Acid

Fumaric Acid

SCHEMBL9759360

CCCNC(=S)c1ccc2c(c1)N(C(C)CN1CC=CC1)c1ccccc1S2.O=C(O)C=CC(=O)O

nearest known ligand 0.39

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
HTR1A known ✓ P08908 2/20 0.37
DRD2 known ✓ P14416 2/20 0.37
ADRA2B known ✓ P18089 2/20 0.37
ADRA2C known ✓ P18825 2/20 0.37
HTR2A known ✓ P28223 2/20 0.37
ADRA1A known ✓ P35348 2/20 0.37
HRH1 known ✓ P35367 2/20 0.37
HTR2B known ✓ P41595 2/20 0.37
KCNH2 known ✓ Q12809 2/20 0.37
CHRM2 known ✓ P08172 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
HTR2C known ✓ P28335 1/20 0.37
MEN1 known ✓ O00255 2/20 0.36
KMT2A known ✓ Q03164 2/20 0.36
MLNR known ✓ O43193 1/20 0.33
ADRA2A known ✓ P08913 1/20 0.33
DRD1 known ✓ P21728 1/20 0.33
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A4 known ✓ P31645 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33

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
Fumaric Acid SCHEMBL9759336 1.00 BCHE (0.39) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9759826 0.93 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9758653 0.92 LMNA (0.43) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9758667 0.92 LMNA (0.43) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9759619 0.89 KMT2A (0.40) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9759629 0.89 KMT2A (0.40) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9759348 0.86 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9332064 0.84 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9332060 0.84 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9784832 0.83 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B

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