Hydrochloric Acid

Hydrochloric Acid

SCHEMBL23458449

O=C(O)CC[n+]1ccc(-c2nc3cnccn3n2)cc1.[Cl-]

nearest known ligand 0.33

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
NAMPT known ✓ P43490 2/20 0.33
S1PR1 P21453 1/20 0.33
AHR P35869 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
DHODH Q02127 1/20 0.32
PARP1 P09874 1/20 0.32
PDE10A Q9Y233 2/20 0.31
F2 P00734 3/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
LATS1 O95835 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TBXAS1 P24557 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KLKB1 P03952 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
SCHEMBL23458446 0.89 AHR (0.32) NAMPTAHRF2KMT2AMAPT
SCHEMBL23486268 0.89 MAPT (0.34) NAMPTS1PR1AHRCDK8DHODH
SCHEMBL23486254 0.87 HPGD (0.37) NAMPTCCNCCDK8F2KMT2A
Bromide SCHEMBL23458460 0.86 HPGD (0.36) NAMPTCCNCCDK8F2KMT2A
SCHEMBL23458471 0.78 AHR (0.32) AHR
SCHEMBL23458586 0.78 BRD4 (0.36) NAMPTMAPTLATS1
Bromide SCHEMBL23458486 0.77 BRD4 (0.36) NAMPTKMT2ALATS1
SCHEMBL20157092 0.75 ADORA3 (0.47) NAMPTAHRDHODHPARP1PDE10A
SCHEMBL23486108 0.75 ALDH1A1 (0.31) AHR
SCHEMBL23458573 0.74 DYRK1A (0.45) AHRPDE10AKMT2AMAPTLMNA

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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed