Fumaric Acid

Fumaric Acid

SCHEMBL7267252

CN(C(=O)CN)C(C)(Cc1ccccc1)c1ccccc1.O=C(O)C=CC(=O)O

nearest known ligand 0.50

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 0.42
▸ MEN1 known ✓ O00255 2/20 0.42
▸ SLC6A2 known ✓ P23975 1/20 0.40
▸ CYP3A4 P08684 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ AOC3 Q16853 6/20 0.46
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40

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 SCHEMBL7267250 1.00 CYP3A4 (0.50) CYP3A4CYP1A2RECQLMAPK1AOC3
SCHEMBL7266022 0.93 CYP1A2 (0.56) CYP3A4CYP1A2RECQLMAPK1AOC3
Hydrochloric Acid SCHEMBL9511381 0.79 MAPK1 (0.56) CYP3A4CYP1A2RECQLMAPK1AOC3
SCHEMBL7273963 0.79 KMT2A (0.46) CYP3A4CYP1A2RECQLMAPK1RAB9A
SCHEMBL10561803 0.77 CYP3A4 (0.48) CYP3A4CYP1A2RECQLMAPK1AOC3
Remacemide SCHEMBL31270066 0.76 CYP3A4 (0.86) CYP3A4CYP1A2RECQLMAPK1AOC3
Remacemide SCHEMBL7266094 0.76 CYP3A4 (0.86) CYP3A4CYP1A2RECQLMAPK1AOC3
Remacemide SCHEMBL7266326 0.76 CYP3A4 (0.86) CYP3A4CYP1A2RECQLMAPK1AOC3
Maleic Acid SCHEMBL7267609 0.75 TAAR1 (0.53) CYP3A4CYP1A2RECQLMAPK1KMT2A
Fumaric Acid SCHEMBL7267622 0.75 TAAR1 (0.53) CYP3A4CYP1A2RECQLMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279937-B1 2-AMINOACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1991-10-09 — — EP claimed
EP-0279937-A1 2-Aminoacetamide derivatives FISONS CORPORATION (US) 1988-08-31 — — EP claimed
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 — — US disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 — — US disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 — — US disclosed
EP-0279937-B1 2-AMINOACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1991-10-09 — — EP disclosed
EP-0279937-A1 2-Aminoacetamide derivatives FISONS CORPORATION (US) 1988-08-31 — — EP disclosed
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