Fumaric Acid

Fumaric Acid

SCHEMBL6963773

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)cc(OC)c1OC.O=C(O)C=CC(=O)O

nearest known ligand 0.58

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
MAP2K1 known ✓ Q02750 1/20 0.45
MEN1 known ✓ O00255 2/20 0.42
KMT2A known ✓ Q03164 2/20 0.42
HPGD P15428 3/20 0.58
TSHR P16473 2/20 0.58
ACHE P22303 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
F2 P00734 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 2/20 0.45

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 SCHEMBL6963761 1.00 HPGD (0.58) HPGDTSHRACHESMN1; SMN2MAPK1
Maleic Acid SCHEMBL6969903 0.90 LMNA (0.59) HPGDTSHRACHESMN1; SMN2MAPK1
Fumaric Acid SCHEMBL6969916 0.90 LMNA (0.59) HPGDTSHRACHESMN1; SMN2MAPK1
Fumaric Acid SCHEMBL6965810 0.88 PDE5A (0.54) HPGDTSHRACHEMAPK1MAPT
Maleic Acid SCHEMBL6965801 0.88 PDE5A (0.54) HPGDTSHRACHEMAPK1MAPT
Maleic Acid SCHEMBL6971346 0.86 ACHE (0.49) HPGDTSHRACHESMN1; SMN2MAPK1
Fumaric Acid SCHEMBL6971359 0.86 ACHE (0.49) HPGDTSHRACHESMN1; SMN2MAPK1
Fumaric Acid SCHEMBL6974412 0.86 ACHE (0.61) HPGDTSHRACHESMN1; SMN2MAPK1
Maleic Acid SCHEMBL6974397 0.86 ACHE (0.61) HPGDTSHRACHESMN1; SMN2MAPK1
Fumaric Acid SCHEMBL6968706 0.85 LMNA (0.58) HPGDTSHRACHESMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed