Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9073065

CCN(CC)c1ccc2c(c1)C([Zr+2])c1cc(N(CC)CC)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.45

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
ALDH1A1 P00352 12/20 0.45
L3MBTL1 Q9Y468 7/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPK1 P28482 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
TERT O14746 1/20 0.43
S100B P04271 1/20 0.42
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
CASP1 P29466 2/20 0.37

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 SCHEMBL28058576 0.92 MEN1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL31024203 0.88 CASR (0.38) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28058677 0.75 MEN1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9770376 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28058663 0.73 CYP2C19 (0.42) KMT2AMAPK1TSHRGLAHIF1A
Hydrochloric Acid SCHEMBL7195502 0.71 GPR3 (0.41) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL7636872 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7191899 0.68 GPR3 (0.34) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL1735497 0.67 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL29518420 0.67 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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-0709393-A2 Olefin polymerization catalyst and process for producing olefin polymer TOSOH CORPORATION (JP) 1996-05-01 EP disclosed