Fumaric Acid

Fumaric Acid

SCHEMBL9759348

CCCNC(=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
MEN1 known ✓ O00255 2/20 0.35
KMT2A known ✓ Q03164 2/20 0.35
CHRM2 known ✓ P08172 1/20 0.34
HTR1A known ✓ P08908 1/20 0.34
DRD2 known ✓ P14416 1/20 0.34
ADRA2B known ✓ P18089 1/20 0.34
ADRA2C known ✓ P18825 1/20 0.34
CHRM3 known ✓ P20309 1/20 0.34
HTR2A known ✓ P28223 1/20 0.34
HTR2C known ✓ P28335 1/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
HRH1 known ✓ P35367 1/20 0.34
HTR2B known ✓ P41595 1/20 0.34
KCNH2 known ✓ Q12809 1/20 0.34
MTOR known ✓ P42345 1/20 0.32
BCHE P06276 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 5/20 0.35

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
SCHEMBL9759838 0.93 BCHE (0.41) BCHENPSR1MAPTGAALMNA
Fumaric Acid SCHEMBL9758663 0.91 LMNA (0.42) BCHENPSR1MAPTLMNATP53
Fumaric Acid SCHEMBL9759626 0.90 KMT2A (0.40) BCHENPSR1MAPTGAALMNA
Fumaric Acid SCHEMBL9759360 0.86 BCHE (0.39) BCHENPSR1MAPTGAALMNA
Fumaric Acid SCHEMBL9759336 0.86 BCHE (0.39) BCHENPSR1MAPTGAALMNA
SCHEMBL9334774 0.84 BCHE (0.41) BCHENPSR1MAPTGAALMNA
SCHEMBL9334139 0.83 KMT2A (0.40) BCHENPSR1MAPTGAALMNA
Fumaric Acid SCHEMBL9758790 0.83 KMT2A (0.41) NPSR1MAPTGAALMNATP53
Fumaric Acid SCHEMBL9759304 0.80 GFER (0.35) BCHENPSR1MAPTGAALMNA
SCHEMBL9758883 0.79 MAPT (0.37) BCHENPSR1MAPTLMNATP53

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