Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29520700

N#[N+]c1ccc(-c2ccc([N+]#N)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.30

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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL13567593 0.97 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TDP1ESR1
Hydrochloric Acid SCHEMBL11205797 0.89
SCHEMBL1304591 0.86
SCHEMBL6288069 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPT
Hydrochloric Acid SCHEMBL11789517 0.81 ESR2 (0.50) TP53ESR2
SCHEMBL28211634 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1MAPT
SCHEMBL14600169 0.77 ESR2 (0.52) TP53TDP1ESR2
Ethyne SCHEMBL5511281 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1MAPT
SCHEMBL28387184 0.75 ACHE (0.37) ALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL1578783 0.75 LMNA (0.47) ALDH1A1CYP3A4TDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112138537-B Filter screen structure of photocatalytic decomposition material 奇鼎科技股份有限公司 2022-04-19 CN disclosed