Fumaric Acid

Fumaric Acid

SCHEMBL8138709

CC(N)Cc1nn(C)c2ccc(Cl)cc12.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 17)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.36
MAPK8 P45983 9/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NTRK1 P04629 1/20 0.38
NAMPT P43490 1/20 0.36
KMO O15229 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 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 SCHEMBL8138713 1.00 MAPK8 (0.40) MAPK8MAPK9MAPK10KDM4CKDM4E
SCHEMBL905751 0.89 HTR2A (0.43) MAPK8MAPK9MAPK10KDM4CNTRK1
Fumaric Acid SCHEMBL5990557 0.87 NPSR1 (0.52) KDM4EBLMNPSR1HTR2A
Fumaric Acid SCHEMBL5990550 0.87 NPSR1 (0.52) KDM4EBLMNPSR1HTR2A
Fumaric Acid SCHEMBL8146156 0.84 HTR3A (0.40) KDM4EHTR2ANAMPT
Fumaric Acid SCHEMBL8146150 0.84 HTR3A (0.40) KDM4EHTR2ANAMPT
Fumaric Acid SCHEMBL8138712 0.81 MAPK8 (0.53) MAPK8MAPK9MAPK10KDM4CKDM4E
SCHEMBL5990554 0.78 KDM4E (0.34) KDM4EHTR2ANAMPT
SCHEMBL9323969 0.76 AKR1B1 (0.51) MAPK8MAPK9MAPK10KDM4CNTRK1
SCHEMBL5989789 0.76 HTR1A (0.43) BLMNPSR1HTR2A

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
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed