Fumaric Acid

Fumaric Acid

SCHEMBL6967326

COc1ccccc1C(=O)Nc1nc(C(=O)NCCN(C)C)cs1.O=C(O)C=CC(=O)O

nearest known ligand 0.54

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 0.44
MEN1 known ✓ O00255 2/20 0.44
ACHE P22303 2/20 0.54
MME P08473 1/20 0.51
MAPT P10636 3/20 0.45
RAD52 P43351 2/20 0.44
SMARCA2 P51531 1/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCHR1 Q99705 1/20 0.44
HPGD P15428 2/20 0.42
ESR1 P03372 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
Maleic Acid SCHEMBL6967317 1.00 ACHE (0.54) ACHEMMEMAPTRAD52SMARCA2
Fumaric Acid SCHEMBL6973849 0.93 ACHE (0.54) ACHEMMEMAPTRAD52SMARCA2
Maleic Acid SCHEMBL6973815 0.93 ACHE (0.54) ACHEMMEMAPTRAD52SMARCA2
Maleic Acid SCHEMBL6964004 0.92 ACHE (0.51) ACHEMMEMAPTRAD52SMARCA2
Fumaric Acid SCHEMBL6964014 0.92 ACHE (0.51) ACHEMMEMAPTRAD52SMARCA2
Fumaric Acid SCHEMBL6975157 0.90 KDM4E (0.51) ACHEMMEMAPTRAD52SMARCA2
Maleic Acid SCHEMBL6975142 0.90 KDM4E (0.51) ACHEMMEMAPTRAD52SMARCA2
Maleic Acid SCHEMBL6967869 0.88 ACHE (0.54) ACHEMAPTRAD52SMARCA2NPC1
Fumaric Acid SCHEMBL6967884 0.88 ACHE (0.54) ACHEMAPTRAD52SMARCA2NPC1
Maleic Acid SCHEMBL6968570 0.88 ACHE (0.54) ACHEMAPTNPC1KDM4EALDH1A1

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