Fumaric Acid

Fumaric Acid

SCHEMBL6969916

COc1ccc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)cc1OC.O=C(O)C=CC(=O)O

nearest known ligand 0.59

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 0.50
KMT2A known ✓ Q03164 2/20 0.46
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ACHE P22303 2/20 0.53
MAPK1 P28482 3/20 0.50
MAPKAPK2 P49137 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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 SCHEMBL6969903 1.00 LMNA (0.59) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6968706 0.95 LMNA (0.58) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6968697 0.95 LMNA (0.58) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6968092 0.90 ACHE (0.67) LMNANPSR1HSD17B10ACHEMAPK1
Maleic Acid SCHEMBL6968084 0.90 ACHE (0.67) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6963773 0.90 HPGD (0.58) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6963761 0.90 HPGD (0.58) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6977189 0.87 NPSR1 (0.59) LMNANPSR1HSD17B10ACHEMAPK1
Fumaric Acid SCHEMBL6977193 0.87 NPSR1 (0.59) LMNANPSR1HSD17B10ACHEMAPK1
Maleic Acid SCHEMBL6974397 0.87 ACHE (0.61) LMNANPSR1HSD17B10ACHEMAPK1

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