Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573509

CC[N+](CC)(CC)CC(=O)Nc1cc(N)ccc1OCCC[n+]1ccn(C)c1.[Cl-].[Cl-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL2929052 0.99 RAD52 (0.37) RAD52GFERLMNAHTTL3MBTL1
Water SCHEMBL7635799 0.85 ALDH1A1 (0.39) RAD52GFERLMNAHTTL3MBTL1
SCHEMBL6572374 0.85 ALDH1A1 (0.38) RAD52GFERLMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL7251381 0.78 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6571868 0.77 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL5532814 0.76 HTT (0.48) RAD52HTTL3MBTL1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7633692 0.75 MAPT (0.50) RAD52HTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2930165 0.74 MAPT (0.49) HTTL3MBTL1ALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL5531170 0.73 MAPT (0.35) HTTL3MBTL1ALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL7621770 0.72 MAPT (0.38) RAD52HTTL3MBTL1ALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US disclosed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US disclosed