Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4588710

CC1=CC(C)C([Ti+2]NC(=O)C2CCCCC2)=C1C.[Cl-].[Cl-]

nearest known ligand 0.38

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 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.34

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 SCHEMBL8469617 0.84 PTPN1 (0.35) PTPN1NPSR1LMNAP2RX7KMT2A
Hydrochloric Acid SCHEMBL17823015 0.77 HDAC8 (0.37) PTPN1NPSR1LMNAP2RX7KMT2A
Hydrochloric Acid SCHEMBL9065698 0.68 LMNA (0.41) PTPN1NPSR1LMNAP2RX7KMT2A
Hydrochloric Acid SCHEMBL12817186 0.67 PTPN1 (0.41) PTPN1NPSR1LMNAP2RX7KMT2A
Hydrochloric Acid SCHEMBL7640270 0.60 HDAC8 (0.58) PTPN1KMT2ASMN1; SMN2HDAC8HDAC6
SCHEMBL24618011 0.57 HDAC8 (0.61) PTPN1NPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL13060381 0.57 HDAC8 (0.61) PTPN1NPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL21212072 0.57 HDAC8 (0.61) PTPN1NPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL1678569 0.57 HDAC8 (0.61) PTPN1NPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL18935496 0.57 HDAC8 (0.61) PTPN1NPSR1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
EP-1966225-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG Chem, Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078134-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEM. LTD. (KR) 2007-07-12 WO disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 WO disclosed