Benzoic Acid

Benzoic Acid

SCHEMBL29256679

Cc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)cc1Cl.O=C(O)c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 20/20 0.55

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
SCHEMBL30927519 0.91 SCN10A (0.60) SCN10A
SCHEMBL21906155 0.91 SCN10A (0.60) SCN10A
Methyl Benzoate SCHEMBL29256638 0.91 SCN10A (0.54) SCN10A
SCHEMBL25391058 0.86 SCN10A (0.60) SCN10A
SCHEMBL31163999 0.83 SCN10A (0.66) SCN10A
SCHEMBL21906041 0.80 SCN10A (0.59) SCN10A
SCHEMBL29256619 0.79 SCN10A (0.67) SCN10A
SCHEMBL31037373 0.79 SCN10A (0.67) SCN10A
SCHEMBL31037395 0.79 SCN10A (0.53) SCN10A
SCHEMBL31163995 0.79 SCN10A (0.60) SCN10A

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
CN-118324743-A Nav1.8 inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2024-07-12 — — CN disclosed
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