Fumaric Acid

Fumaric Acid

SCHEMBL9602842

CC(CN(C)C)Oc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1.CC(CN(C)C)Oc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1.O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.42

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 4/20 0.32
SLC6A4 known ✓ P31645 4/20 0.32
SLC6A3 known ✓ Q01959 2/20 0.31
HTR2A known ✓ P28223 1/20 0.30
MEN1 known ✓ O00255 1/20 0.30
KMT2A known ✓ Q03164 1/20 0.30
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MCHR1 Q99705 1/20 0.33
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
PMP22 Q01453 1/20 0.30

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 SCHEMBL9602836 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9867501 0.99 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9867491 0.99 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL9602772 0.93 MCHR1 (0.35) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9603164 0.86 KDM4E (0.35) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9603160 0.86 KDM4E (0.35) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9601552 0.85 L3MBTL1 (0.37) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9868348 0.85 L3MBTL1 (0.37) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL9866052 0.85 MCHR1 (0.34) ALDH1A1KDM4EMAPTLMNAGAA
Fumaric Acid SCHEMBL9603157 0.84 LMNA (0.34) ALDH1A1KDM4EMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed