Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6943709

COc1cc(NC(=O)C[N+]2(C)CCN(C)CC2)c(O)cc1NC(C)=O.[Cl-]

nearest known ligand 0.43

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 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 SCHEMBL6942728 1.00 GAA (0.42) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6944278 0.99 GAA (0.43) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6943626 0.99 GAA (0.43) GAAMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6941378 0.92 KMT2A (0.40) GAAMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6939671 0.92 KMT2A (0.40) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6943658 0.90 KMT2A (0.40) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6939899 0.90 KMT2A (0.40) GAAMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7633710 0.90 ALDH1A1 (0.50) GAAMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6571543 0.90 ALDH1A1 (0.50) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7804283 0.88 ALDH1A1 (0.51) GAAMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US disclosed