Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6941378

COC(=O)Nc1cc(OC)c(NC(=O)C[N+]2(C)CCN(C)CC2)cc1O.[Cl-]

nearest known ligand 0.40

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 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35

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 SCHEMBL6939671 1.00 KMT2A (0.40) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL6939899 0.99 KMT2A (0.40) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL6943658 0.99 KMT2A (0.40) KMT2AMEN1L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL6942728 0.92 GAA (0.42) KMT2AMEN1L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL6943709 0.92 GAA (0.42) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL6943626 0.90 GAA (0.43) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL6944278 0.90 GAA (0.43) KMT2AMEN1L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL7635997 0.90 KMT2A (0.50) KMT2AMEN1L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL7629724 0.90 KMT2A (0.50) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL7798510 0.88 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTLMNA

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