Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7178951

CCc1cc(CC)c(N=C(C)c2cc(C)cc(C(C)=Nc3c(CC)cc(CC)cc3CC)n2)c(CC)c1.[Cl-].[Cl-].[Cl-].[Co+3]

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 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL7178991 0.98 GAA (0.33) GAAMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7185479 0.97 GAA (0.33) GAAMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7175481 0.97 GAA (0.33) GAAMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7173199 0.97 GAA (0.33) GAAMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7176584 0.92
Hydrochloric Acid SCHEMBL7182780 0.91 ALDH1A1 (0.30) GAAMAPK1ALDH1A1HPGDPPARG
Hydrochloric Acid SCHEMBL7173770 0.89
Hydrochloric Acid SCHEMBL7184999 0.89
Hydrochloric Acid SCHEMBL7176030 0.89
Hydrochloric Acid SCHEMBL7171337 0.89

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
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed