Fumaric Acid

Fumaric Acid

SCHEMBL10577240

CN1CCN(OCn2c(-c3cccc(Br)c3)nc3cccnc32)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A known ✓ Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ TP53 P04637 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
Fumaric Acid SCHEMBL10386850 0.85 PTGS2 (0.41) MAPTBRD4
Fumaric Acid SCHEMBL10386852 0.85 PTGS2 (0.41) MAPTBRD4
SCHEMBL10646253 0.79 MAPT (0.44) MAPT
Fumaric Acid SCHEMBL10386964 0.75 — —
Fumaric Acid SCHEMBL10386965 0.75 — —
SCHEMBL10387098 0.75 KDM4E (0.49) MAPTHSD17B10
Fumaric Acid SCHEMBL10387419 0.75 — —
Fumaric Acid SCHEMBL10387418 0.75 — —
SCHEMBL10386702 0.73 CYP1A2 (0.54) HSD17B10
SCHEMBL10386919 0.72 — —

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-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 — — US disclosed
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