Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573300

CN1CC[N+](C)(CC(=O)Nc2cc(O)c(NS(C)(=O)=O)cc2Cl)CC1.[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 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
CXCR2 P25025 2/20 0.32
PLA2G7 Q13093 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RCE1 Q9Y256 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL6572851 0.99 POLB (0.38) POLBALDH1A1MAPTDRD2DRD1
Hydrochloric Acid SCHEMBL7156926 0.86 KMT2A (0.42) ALDH1A1MAPTDRD2KDM4ELMNA
Hydrochloric Acid SCHEMBL6941558 0.86 POLB (0.39) POLBALDH1A1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL6942701 0.86 POLB (0.39) POLBALDH1A1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL6573313 0.86 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL7798700 0.85 KMT2A (0.43) ALDH1A1MAPTDRD2KDM4ELMNA
SCHEMBL6941689 0.85 POLB (0.40) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL6942033 0.85 POLB (0.40) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL6575877 0.84 MEN1 (0.42) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6937225 0.84 POLB (0.38) POLBALDH1A1MAPTKDM4ELMNA

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-1066264-B1 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS OREAL (FR) 2004-11-17 EP claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US disclosed