Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6097618

Cc1cc(N2CC([n+]3ccccc3)CC2C[n+]2ccccc2)ccc1N.[Cl-].[Cl-]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34

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
Hydrochloric Acid SCHEMBL6099062 0.88 RAD52 (0.37) GAARAD52
Hydrochloric Acid SCHEMBL6097647 0.85 RAD52 (0.34) GAARAD52
Hydrochloric Acid SCHEMBL6097559 0.83
SCHEMBL6600526 0.82
Hydrochloric Acid SCHEMBL6097828 0.78 RAD52 (0.39) GAARAD52
Hydrochloric Acid SCHEMBL6096586 0.78 THRB (0.36) GAARAD52
Hydrochloric Acid SCHEMBL6095654 0.70
SCHEMBL6602041 0.66 MEN1 (0.33)
Hydrochloric Acid SCHEMBL6095268 0.65 RAD52 (0.38) GAARAD52
Hydrochloric Acid SCHEMBL6095935 0.64 RAD52 (0.40) GAARAD52

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-7132543-B2 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2006-11-07 US disclosed