Hydrochloric Acid

Hydrochloric Acid

SCHEMBL39584

Cc1cc(Cl)cc(Cl)c1N=CCc1cccc(CC=Nc2c(C)cc(Cl)cc2Cl)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.35

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 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRHR1 P34998 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 2/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL4968015 0.93 ALDH1A1 (0.33) KDM4ELMNAMAPTHPGDHTT
SCHEMBL4970674 0.92 RAPGEF4 (0.34) KDM4ELMNAMAPTHPGDHTT
Hydrochloric Acid SCHEMBL3671010 0.89 NOS1 (0.33) BACE1
Hydrochloric Acid SCHEMBL821776 0.87 KDM4E (0.31) KDM4ELMNAMAPTHPGDHTT
SCHEMBL16653951 0.86 NOS1 (0.35) BACE1
SCHEMBL23535362 0.85 NOS1 (0.34) BACE1
SCHEMBL14830125 0.85 NOS1 (0.34) BACE1
Hydrochloric Acid SCHEMBL39685 0.85 BACE1 (0.34) BACE1
SCHEMBL20703459 0.83 NOS1 (0.35) BACE1
SCHEMBL25439645 0.83 NOS1 (0.33) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3058002-A1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE Basell Polyolefine GmbH (DE) 2016-08-24 EP disclosed
EP-3058026-A1 POLYETHYLENE FOR INJECTION MOULDING Basell Polyolefine GmbH (DE) 2016-08-24 EP disclosed
EP-3058025-A1 POLYETHYLENE COMPOSITION FOR INJECTION MOULDING Basell Polyolefine GmbH (DE) 2016-08-24 EP disclosed
EP-2935414-A1 POLYETHYLENE COMPOSITION HAVING HIGH MECHANICAL PROPERTIES Basell Polyolefine GmbH (DE) 2015-10-28 EP disclosed
WO-2015055393-A1 POLYETHYLENE FOR INJECTION MOULDING BASELL POLYOLEFINE GMBH (DE) 2015-04-23 WO disclosed
WO-2015055394-A1 POLYETHYLENE COMPOSITION FOR INJECTION MOULDING BASELL POLYOLEFINE GMBH (DE) 2015-04-23 WO disclosed
WO-2015055392-A1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE BASELL POLYOLEFINE GMBH (DE) 2015-04-23 WO disclosed
WO-2014095231-A1 POLYETHYLENE COMPOSITION HAVING HIGH MECHANICAL PROPERTIES BASELL POLYOLEFINE GMBH (DE) 2014-06-26 WO disclosed
EP-2563957-A2 POLYMER FILAMENT OR FIBER Basell Polyolefine GmbH (DE) 2013-03-06 EP disclosed
WO-2011134897-A2 POLYMER FILAMENT OR FIBER BASELL POLYOLEFINE GMBH (DE) 2011-11-03 WO disclosed