Fumaric Acid

Fumaric Acid

SCHEMBL9758792

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

nearest known ligand 0.41

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 0.41
MEN1 known ✓ O00255 2/20 0.36
CHRM2 known ✓ P08172 1/20 0.35
HTR1A known ✓ P08908 1/20 0.35
DRD2 known ✓ P14416 1/20 0.35
ADRA2B known ✓ P18089 1/20 0.35
ADRA2C known ✓ P18825 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
HTR2A known ✓ P28223 1/20 0.35
HTR2C known ✓ P28335 1/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
HRH1 known ✓ P35367 1/20 0.35
HTR2B known ✓ P41595 1/20 0.35
KCNH2 known ✓ Q12809 1/20 0.35
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 3/20 0.36
KDM4E B2RXH2 3/20 0.36

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 SCHEMBL9758783 1.00 KMT2A (0.41) KMT2ARXFP1LMNAALDH1A1HPGD
SCHEMBL9332095 0.96 KMT2A (0.45) KMT2ARXFP1LMNAALDH1A1HPGD
Fumaric Acid SCHEMBL9759619 0.92 KMT2A (0.40) KMT2ARXFP1LMNAALDH1A1TP53
Fumaric Acid SCHEMBL9759629 0.92 KMT2A (0.40) KMT2ARXFP1LMNAALDH1A1TP53
Fumaric Acid SCHEMBL9758667 0.89 LMNA (0.43) KMT2ALMNATP53MEN1SMN1; SMN2
Fumaric Acid SCHEMBL9758653 0.89 LMNA (0.43) KMT2ALMNATP53MEN1SMN1; SMN2
SCHEMBL9331842 0.87 KMT2A (0.45) KMT2ARXFP1LMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL9758899 0.86 KMT2A (0.44) KMT2ARXFP1LMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL9759301 0.86 KMT2A (0.44) KMT2ARXFP1LMNAALDH1A1HPGD
SCHEMBL9334129 0.85 KMT2A (0.40) KMT2ARXFP1LMNAALDH1A1MEN1

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