Hydrochloric Acid

Hydrochloric Acid

SCHEMBL821776

Cc1cc(Cl)cc(Cl)c1N=CCc1cccc(CC=Nc2c(C)cc(Cl)cc2Cl)n1.Fc1ccc(N=CCc2cccc(CC=Nc3ccc(F)cc3F)n2)c(F)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2]

nearest known ligand 0.31

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 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL39584 0.87 KDM4E (0.35) KDM4ELMNAMAPTHPGDHTT
Hydrochloric Acid SCHEMBL38850 0.83 ALDH1A1 (0.37) KDM4ELMNAMAPTHTT
SCHEMBL4968015 0.81 ALDH1A1 (0.33) KDM4ELMNAMAPTHPGDHTT
SCHEMBL4970674 0.80 RAPGEF4 (0.34) KDM4ELMNAMAPTHPGDHTT
Hydrochloric Acid SCHEMBL3671010 0.78 NOS1 (0.33)
SCHEMBL16653951 0.75 NOS1 (0.35)
SCHEMBL23535362 0.74 NOS1 (0.34)
SCHEMBL14830125 0.74 NOS1 (0.34)
Hydrochloric Acid SCHEMBL39685 0.73 BACE1 (0.34)
Hydrochloric Acid SCHEMBL39915 0.73 LMNA (0.36) KDM4ELMNAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760958-A1 SYSTEMS, METHODS AND COMPOSITIONS FOR PRODUCTION OF TIE-LAYER ADHESIVES Equistar Chemicals, LP (US) 2014-08-06 EP disclosed
WO-2013049786-A1 SYSTEMS, METHODS AND COMPOSITIONS FOR PRODUCTION OF TIE-LAYER ADHESIVES EQUISTAR CHEMICALS, LP (US) 2013-04-04 WO disclosed
EP-2361281-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF Basell Polyolefine GmbH (DE) 2011-08-31 EP disclosed
EP-2344551-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF Basell Polyolefine GmbH (DE) 2011-07-20 EP disclosed
EP-2337811-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF Basell Polyolefine GmbH (DE) 2011-06-29 EP disclosed
EP-2326678-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF Basell Polyolefine GmbH (DE) 2011-06-01 EP disclosed
WO-2010034461-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed
WO-2010034520-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed
WO-2010034464-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed
WO-2010034508-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed
WO-2010034463-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed