Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6938864

C[n+]1ccn(CC(=O)Nc2cc(Cl)c(N)cc2O)c1.[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 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6937070 0.99 HPGD (0.41) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6940892 0.87 HPGD (0.43) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6572782 0.86 MAPK1 (0.38) LMNAHPGDMAPK1HTTCA1
SCHEMBL6941272 0.86 HPGD (0.44) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6939645 0.85 LMNA (0.39) LMNAHPGDMAPK1SMN1; SMN2HTT
SCHEMBL6572929 0.85 MAPK1 (0.38) LMNAHPGDMAPK1HTTCA1
Hydrochloric Acid SCHEMBL6943653 0.84 HPGD (0.36) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6938935 0.84 ALDH1A1 (0.41) LMNAMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL6946185 0.84 LMNA (0.40) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6941513 0.83 LMNA (0.38) LMNAHPGDMAPK1SMN1; SMN2HTT

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