Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11632202

CCCC[n+]1c(C=NO)sc2ccccc21.[Cl-]

nearest known ligand 0.56

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
▸ INSR P06213 13/20 0.56
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
Iodide SCHEMBL11635184 0.97 INSR (0.56) INSRMAPTMEN1KMT2AHTT
Bromide SCHEMBL11633217 0.97 INSR (0.56) INSRMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11629281 0.92 INSR (0.46) INSRMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11633252 0.85 MAPT (0.56) INSRMAPTMEN1KMT2AHTT
Bromide SCHEMBL11627911 0.82 MAPT (0.54) INSRMAPTMEN1KMT2AHTT
SCHEMBL16520750 0.81 INSR (0.60) INSRMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11516460 0.78 INSR (0.67) INSRMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11516462 0.78 INSR (0.67) INSRMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11631456 0.76 ADRB2 (0.50) INSRMAPTMEN1KMT2AHTT
SCHEMBL12201137 0.74 KDM4E (0.65) INSRMAPTMEN1KMT2AHTT

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
US-4085112-A 2-Formyl-3-alkyl-benzothiazolium halide oxime THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1978-04-18 — — US disclosed
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