Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3640732

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCC[N+](CCC)(CCC)Cc1ccccc1.[Cl-].[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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.39
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 2/20 0.54
DNM1 Q05193 2/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.45
SLC22A1 O15245 1/20 0.41
CNR2 P34972 2/20 0.39
BCHE P06276 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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 SCHEMBL29176483 1.00 MEN1 (0.56) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL30800628 1.00 MEN1 (0.56) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL25244665 0.98 DNM1 (0.55) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL25288494 0.98 DNM1 (0.55) MEN1KMT2ATP53SMN1; SMN2MAPK1
Bromide SCHEMBL25289236 0.96 DNM1 (0.56) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL194044 0.96 MEN1 (0.59) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL11127047 0.94 MEN1 (0.64) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL27803298 0.94 MEN1 (0.58) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL81000 0.94 DNM1 (0.58) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrogen Sulfide SCHEMBL5998244 0.94 DNM1 (0.58) MEN1KMT2ATP53SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167516-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS Cytochroma Inc. (CA) 2010-03-31 EP disclosed
WO-2008146130-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS CYTOCHROMA INC. (CA) 2008-12-04 WO disclosed