Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5452767

CC[N+](C)=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc([N+](C)(C)C)cc2)C=C1.[Cl-].[Cl-]

nearest known ligand 0.61

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
CHRM2 known ✓ P08172 1/20 0.61
CHRM1 known ✓ P11229 1/20 0.61
CHRM3 known ✓ P20309 1/20 0.61
ACHE known ✓ P22303 1/20 0.61
SLC6A2 known ✓ P23975 1/20 0.61
SLC6A3 known ✓ Q01959 1/20 0.61
TDP1 Q9NUW8 6/20 0.61
MAPK1 P28482 6/20 0.61
THRB P10828 5/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP3A4 P08684 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HIF1A Q16665 3/20 0.61
HTT P42858 3/20 0.61
TP53 P04637 3/20 0.61
ALOX12 P18054 2/20 0.61
RECQL P46063 2/20 0.61
BLM P54132 2/20 0.61

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 SCHEMBL25301058 0.88 TDP1 (0.80) TDP1MAPK1THRBMAPTMEN1
Zinc Ion SCHEMBL29366028 0.85 TDP1 (0.75) TDP1MAPK1THRBMAPTMEN1
Bromide SCHEMBL25280 0.80 TDP1 (0.70) TDP1MAPK1THRBMAPTMEN1
SCHEMBL12671027 0.79 TDP1 (0.69) TDP1MAPK1THRBMAPTMEN1
SCHEMBL4656587 0.79 TDP1 (0.57) TDP1MAPK1THRBMAPTMEN1
Zinc Chloride SCHEMBL29577877 0.77 TDP1 (0.65) TDP1MAPK1THRBMAPTMEN1
Hexamethyl Pararosaniline SCHEMBL9171 0.77 TDP1 (1.00) TDP1MAPK1THRBMAPTMEN1
Zinc Chloride SCHEMBL29837408 0.76 TDP1 (0.64) TDP1MAPK1THRBMAPTMEN1
Hexamethyl Pararosaniline SCHEMBL94116 0.75 TDP1 (0.96) TDP1MAPK1THRBMAPTMEN1
Hydrochloric Acid SCHEMBL29350825 0.74 MEN1 (0.51) TDP1MAPK1THRBMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070020560-A1 Limited play optical discs CONSUMABLE MEDIA LLC 2007-01-25 US disclosed
WO-2006130496-A1 LIMITED PLAY OPTICAL DISCS CONSUMABLE MEDIA LLC (US) 2006-12-07 WO disclosed