Fumaric Acid

Fumaric Acid

SCHEMBL9759619

C=CCNC(=S)c1ccc2c(c1)N(C(C)CN1CC=CC1)c1ccccc1S2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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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 20)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.40
MEN1 known ✓ O00255 1/20 0.35
DRD2 known ✓ P14416 3/20 0.35
KCNH2 known ✓ Q12809 3/20 0.35
CHRM2 known ✓ P08172 2/20 0.35
HTR2A known ✓ P28223 2/20 0.35
HRH1 known ✓ P35367 2/20 0.35
HTR2B known ✓ P41595 2/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
HTR2C known ✓ P28335 1/20 0.35
SLC6A2 known ✓ P23975 2/20 0.32
SLC6A4 known ✓ P31645 2/20 0.32
MLNR known ✓ O43193 1/20 0.32
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
GMNN O75496 1/20 0.35
GAA P10253 1/20 0.35
PMP22 Q01453 1/20 0.35

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 SCHEMBL9759629 1.00 KMT2A (0.40) KMT2ALMNAKDM4EMAPTMAPK1
SCHEMBL9334129 0.94 KMT2A (0.40) KMT2ALMNAMAPTMAPK1MEN1
Fumaric Acid SCHEMBL9758783 0.92 KMT2A (0.41) KMT2ALMNAKDM4EMAPTMAPK1
Fumaric Acid SCHEMBL9758792 0.92 KMT2A (0.41) KMT2ALMNAKDM4EMAPTMAPK1
Fumaric Acid SCHEMBL9759360 0.89 BCHE (0.39) KMT2ALMNAKDM4EMAPTMAPK1
Fumaric Acid SCHEMBL9759336 0.89 BCHE (0.39) KMT2ALMNAKDM4EMAPTMAPK1
SCHEMBL9332095 0.87 KMT2A (0.45) KMT2ALMNAKDM4EMAPTMAPK1
Fumaric Acid SCHEMBL9759626 0.85 KMT2A (0.40) KMT2ALMNAKDM4EMAPTMAPK1
Fumaric Acid SCHEMBL9758667 0.82 LMNA (0.43) KMT2ALMNAMAPTMAPK1MEN1
Fumaric Acid SCHEMBL9758653 0.82 LMNA (0.43) KMT2ALMNAMAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed