Fumaric Acid

Fumaric Acid

SCHEMBL9865749

CN(C)CCCOc1ccc2c(c1)C1=NN(c3ccc(Cl)cc3)C(=O)CC1CS2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 6/20 0.40
MEN1 known ✓ O00255 5/20 0.40
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RCE1 Q9Y256 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LSS P48449 1/20 0.34
RAD52 P43351 1/20 0.34
CXCR1 P25024 1/20 0.34
POLB P06746 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP2C19 P33261 2/20 0.32
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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 SCHEMBL10445212 1.00 KMT2A (0.40) KMT2AMEN1MAPTL3MBTL1GAA
Fumaric Acid SCHEMBL9602434 0.88 KMT2A (0.42) KMT2AMEN1MAPTL3MBTL1GAA
Fumaric Acid SCHEMBL9602442 0.88 KMT2A (0.42) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL9601582 0.80 MAPK14 (0.40) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL10559167 0.79 AMY1A (0.40) KMT2AMEN1MAPTGAATDP1
Maleic Acid SCHEMBL9865891 0.79 ACHE (0.38) KMT2AMEN1MAPTL3MBTL1GAA
Fumaric Acid SCHEMBL9865899 0.79 ACHE (0.38) KMT2AMEN1MAPTL3MBTL1GAA
Fumaric Acid SCHEMBL9867764 0.78 L3MBTL1 (0.40) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL10556208 0.76 MAPT (0.40) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL10558711 0.75 MAPT (0.43) KMT2AMEN1MAPTGAATDP1

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed