Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5664626

CC(C)c1cccc(C(C)C)c1N=Cc1ccccn1.[Cl-].[Cl-].[Ni+2]

nearest known ligand 0.53

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
NR4A1 P22736 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.41
SLC2A1 P11166 1/20 0.40
LMNA P02545 2/20 0.39
TOP2A P11388 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
Bromide SCHEMBL8057298 0.98 NR4A1 (0.51) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL32490152 0.98 NR4A1 (0.54) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL3682351 0.98 NR4A1 (0.54) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL30931819 0.98 NR4A1 (0.54) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL3682352 0.98 NR4A1 (0.54) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL5589850 0.97 NR4A1 (0.53) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL3973168 0.91 NR4A1 (0.47) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL3973166 0.91 NR4A1 (0.47) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL5588926 0.90 NR4A1 (0.49) NR4A1MAOAMAOBGAAALDH1A1
SCHEMBL18086818 0.90 NR4A1 (0.49) NR4A1MAOAMAOBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069949-A4 POLYMERIZATION CATALYSTS AND PROCESSES THEREFOR CHEVRON PHILLIPS CHEMICAL CO (US) 2006-05-24 EP disclosed
US-6399725-B1 SLURRY POLYMERIZATION OF ETHYLENE PHILLIPS PETROLEUM COMPANY 2002-06-04 US disclosed
EP-1069949-A1 POLYMERIZATION CATALYSTS AND PROCESSES THEREFOR ConocoPhillips Company (US) 2001-01-24 EP disclosed
US-6150295-A Polymerization catalysts and processes therefor PHILLIPS PETROLEUM COMPANY (US) 2000-11-21 US disclosed
WO-1999049969-A1 POLYMERIZATION CATALYSTS AND PROCESSES THEREFOR PHILLIPS PETROLEUM COMPANY (US) 1999-10-07 WO disclosed