Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6946499

O=C(C[n+]1ccccc1)Nc1cccc(N(O)C(=O)C[n+]2ccccc2)c1.[Cl-].[Cl-]

nearest known ligand 0.57

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 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.57
KMT2A Q03164 4/20 0.51
HSP90AA1 P07900 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6940211 0.99 BACE1 (0.55) BACE1KMT2AHSP90AA1LMNAMEN1
Hydrochloric Acid SCHEMBL6940804 0.90 BACE1 (0.48) BACE1KMT2AHSP90AA1MEN1ALDH1A1
SCHEMBL6944648 0.88 BACE1 (0.46) BACE1KMT2AHSP90AA1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6942876 0.85 KMT2A (0.61) BACE1KMT2AHSP90AA1LMNAMEN1
SCHEMBL6939815 0.83 KMT2A (0.59) BACE1KMT2AHSP90AA1LMNAMEN1
Hydrochloric Acid SCHEMBL6942158 0.80 PABPC1 (0.47) BACE1KMT2AHSP90AA1MEN1ALDH1A1
SCHEMBL6944437 0.78 HSP90AA1 (0.47) KMT2AHSP90AA1ALDH1A1MAPK1L3MBTL1
SCHEMBL6944265 0.78 PABPC1 (0.48) BACE1KMT2AHSP90AA1LMNAMEN1
Hydrochloric Acid SCHEMBL11584620 0.78 LMNA (0.67) BACE1KMT2AHSP90AA1LMNAMEN1
SCHEMBL13901174 0.76 LMNA (0.73) BACE1KMT2AHSP90AA1LMNAALDH1A1

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