Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6940683

C[n+]1ccn(CC(=O)Nc2ccccc2O)c1.[Cl-]

nearest known ligand 0.48

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
ACHE known ✓ P22303 1/20 0.41
HPGD P15428 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.42
AHR P35869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
BACE1 P56817 1/20 0.41
AKR1B1 P15121 1/20 0.41
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL6943172 0.99 MAPT (0.49) HPGDLMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6941400 0.88 HPGD (0.46) HPGDLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL6946004 0.86 HPGD (0.47) HPGDLMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6944291 0.85 POLB (0.55) HPGDLMNAMAPK1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6939292 0.84 HPGD (0.43) HPGDLMNAMAPK1SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6941314 0.84 HPGD (0.51) HPGDLMNASMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL6942071 0.84 HPGD (0.42) HPGDLMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6941826 0.83 LMNA (0.39) HPGDLMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6572793 0.83 KMT2A (0.47) HPGDLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL6941358 0.83 POLB (0.56) HPGDLMNAMAPK1SMN1; SMN2KMT2A

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