Fumaric Acid

Fumaric Acid

SCHEMBL9617092

C#CCOc1ccccc1NC(=O)C1CCc2[nH]cnc2C1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 14)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.34
KMT2A known ✓ Q03164 2/20 0.34
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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 SCHEMBL9617094 0.93 HTR3A (0.39) GAAPKMSMN1; SMN2MAPK1POLB
Fumaric Acid SCHEMBL7331885 0.89 SMN1; SMN2 (0.48) GAASMN1; SMN2MAPK1POLBLMNA
Fumaric Acid SCHEMBL7330519 0.87 SMN1; SMN2 (0.49) GAAPKMSMN1; SMN2LMNATSHR
Fumaric Acid SCHEMBL7335420 0.87 KMT2A (0.43) PKMSMN1; SMN2MAPK1POLBLMNA
Fumaric Acid SCHEMBL7325579 0.86 GAA (0.55) GAAPKMSMN1; SMN2POLBTSHR
SCHEMBL7327894 0.83 BRD4 (0.47) GAAPKMSMN1; SMN2MAPK1POLB
SCHEMBL7327002 0.83 SMN1; SMN2 (0.53) GAASMN1; SMN2MAPK1POLBLMNA
Fumaric Acid SCHEMBL7334775 0.82 POLB (0.38) POLBMEN1KMT2AALDH1A1HPGD
Fumaric Acid SCHEMBL7331898 0.82 SMN1; SMN2 (0.48) GAASMN1; SMN2MAPK1POLBLMNA
SCHEMBL7328287 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNATSHRKDM4EMEN1

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
JP-4009372-A None JP disclosed
JP-H049372-A 4,5,6,7-TETRAHYDROBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1992-01-14 JP disclosed