Fumaric Acid

Fumaric Acid

SCHEMBL9874809

Cc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCN(C)C.O=C(O)C=CC(=O)O

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 4/20 0.42
MEN1 known ✓ O00255 3/20 0.42
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
MOK Q9UQ07 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ELANE P08246 1/20 0.40
NQO2 P16083 2/20 0.39
VCP P55072 1/20 0.39
ACP1 P24666 1/20 0.38
TACR1 P25103 1/20 0.38

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 SCHEMBL9874804 1.00 TMEM97 (0.43) TMEM97SIGMAR1MAPTKMT2AALDH1A1
SCHEMBL9602883 0.87 MAPT (0.47) TMEM97SIGMAR1MAPTKMT2AALDH1A1
Fumaric Acid SCHEMBL10375520 0.84 TMEM97 (0.45) TMEM97SIGMAR1MAPTKMT2AALDH1A1
Fumaric Acid SCHEMBL10375518 0.84 TMEM97 (0.45) TMEM97SIGMAR1MAPTKMT2AALDH1A1
Fumaric Acid SCHEMBL10375257 0.79 ALDH1A1 (0.49) TMEM97SIGMAR1MAPTKMT2AALDH1A1
Fumaric Acid SCHEMBL10375258 0.79 ALDH1A1 (0.49) TMEM97SIGMAR1MAPTKMT2AALDH1A1
SCHEMBL10375340 0.79 TMEM97 (0.48) TMEM97SIGMAR1MAPTKMT2AALDH1A1
SCHEMBL9872606 0.77 MAPT (0.53) MAPTKMT2AALDH1A1MEN1GAA
Fumaric Acid SCHEMBL9601924 0.76 POLB (0.41) MAPTKMT2AALDH1A1MEN1GAA
Fumaric Acid SCHEMBL9601937 0.76 POLB (0.41) MAPTKMT2AALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed