Fumaric Acid

Fumaric Acid

SCHEMBL6971425

COc1ccc(C(=O)Nc2nc(C(=O)NCCNC(C)C)cs2)cc1OC.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
KMT2A known ✓ Q03164 3/20 0.47
MEN1 known ✓ O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACHE P22303 2/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 3/20 0.45
ABCB1 P08183 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 2/20 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
Maleic Acid SCHEMBL6971412 1.00 NPSR1 (0.58) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6968092 0.88 ACHE (0.67) NPSR1LMNAHSD17B10ACHEALDH1A1
Maleic Acid SCHEMBL6968084 0.88 ACHE (0.67) NPSR1LMNAHSD17B10ACHEALDH1A1
Maleic Acid SCHEMBL6969903 0.86 LMNA (0.59) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6969916 0.86 LMNA (0.59) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6968697 0.86 LMNA (0.58) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6968706 0.86 LMNA (0.58) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6960310 0.85 LMNA (0.55) NPSR1LMNAHSD17B10ACHEALDH1A1
Maleic Acid SCHEMBL6960299 0.85 LMNA (0.55) NPSR1LMNAHSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL8431924 0.85 NPSR1 (0.57) NPSR1LMNAHSD17B10ACHEALDH1A1

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-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
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