Fumaric Acid

Fumaric Acid

SCHEMBL9570749

COc1ccccc1NC(=O)C1CCn2ccnc2C1.O=C(O)C=CC(=O)O

nearest known ligand 0.57

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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
KMT2A known ✓ Q03164 3/20 0.48
ADRA1A known ✓ P35348 1/20 0.42
KDM4E B2RXH2 3/20 0.57
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.48
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.42

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 SCHEMBL8985248 1.00 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL8985153 0.94 KDM4E (0.63) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL8985169 0.78 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL8985443 0.75 KDM4E (0.59) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL7354752 0.74 KDM4E (0.48) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL7354754 0.74 KDM4E (0.48) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL7330535 0.73 ADRA1A (0.50) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL7330519 0.73 SMN1; SMN2 (0.49) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL24493549 0.71 KDM4E (0.47) KDM4ESMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL27339399 0.71 SMN1; SMN2 (0.85) KDM4EACHEBACE1SMN1; SMN2LMNA

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-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP disclosed