Fumaric Acid

Fumaric Acid

SCHEMBL9236149

CN(C)CCOc1cccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)c1.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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
BTK known ✓ Q06187 1/20 0.39
MEN1 known ✓ O00255 1/20 0.37
KMT2A known ✓ Q03164 1/20 0.37
HRH3 known ✓ Q9Y5N1 1/20 0.36
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LSS P48449 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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 SCHEMBL9236144 1.00 KDM4E (0.45) KDM4EPOLBLMNANPSR1BLM
Fumaric Acid SCHEMBL9234458 0.96 KDM4E (0.46) KDM4EPOLBLMNANPSR1BLM
Fumaric Acid SCHEMBL9234452 0.96 KDM4E (0.46) KDM4EPOLBLMNANPSR1BLM
Fumaric Acid SCHEMBL9233745 0.94 BTK (0.42) KDM4ELMNABTKALDH1A1LSS
Fumaric Acid SCHEMBL9233740 0.94 BTK (0.42) KDM4ELMNABTKALDH1A1LSS
SCHEMBL9876897 0.92 KDM4E (0.42) KDM4EPOLBNPSR1BTKGAA
Fumaric Acid SCHEMBL9234618 0.90 LSS (0.43) KDM4ELMNABTKALDH1A1LSS
Fumaric Acid SCHEMBL9234624 0.90 LSS (0.43) KDM4ELMNABTKALDH1A1LSS
Maleic Acid SCHEMBL9233322 0.89 KDM4E (0.44) KDM4ELMNAALDH1A1LSSMAPT
Fumaric Acid SCHEMBL9233324 0.89 KDM4E (0.44) KDM4ELMNAALDH1A1LSSMAPT

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
EP-0641564-A1 OPTICALLY ACTIVE CONDENSED PYRAZOLE COMPOUND FOR USE IN TREATING THROMBOCYTOPENIA AND ERYTHROPENIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed