Fumaric Acid

Fumaric Acid

SCHEMBL9603068

CC(COc1ccc(N2N=C3c4ccccc4SCC3CC2=O)cc1)N(C)C.O=C(O)C=CC(=O)O

nearest known ligand 0.34

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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 14)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 4/20 0.34
KMT2A known ✓ Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RAD52 P43351 1/20 0.34
POLB P06746 1/20 0.33
TOP1 P11387 1/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
RCE1 Q9Y256 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL9603065 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1RAD52
Fumaric Acid SCHEMBL9602434 0.86 KMT2A (0.42) ALDH1A1MEN1KMT2AL3MBTL1RAD52
Fumaric Acid SCHEMBL9602442 0.86 KMT2A (0.42) ALDH1A1MEN1KMT2AL3MBTL1RAD52
Fumaric Acid SCHEMBL9867764 0.84 L3MBTL1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1RAD52
SCHEMBL9602794 0.83 CHRM2 (0.32) MEN1KMT2AMAPTLMNANPC1
SCHEMBL9603113 0.80 MAPT (0.37) ALDH1A1MEN1KMT2AMAPTTDP1
Fumaric Acid SCHEMBL9866359 0.79 ALDH1A1 (0.33) ALDH1A1L3MBTL1POLBLMNA
Maleic Acid SCHEMBL9866351 0.79 ALDH1A1 (0.33) ALDH1A1L3MBTL1POLBLMNA
SCHEMBL9601582 0.79 MAPK14 (0.40) ALDH1A1MEN1KMT2AMAPTGAA
Fumaric Acid SCHEMBL9602985 0.78 MAPT (0.33) ALDH1A1MEN1KMT2AL3MBTL1POLB

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