Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2551938

CC(=Nc1ccccc1C)c1cccc(C(C)=Nc2c(C)cccc2C)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.40

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
SIGMAR1 Q99720 9/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GRIN2D O15399 6/20 0.36
GRIN3B O60391 6/20 0.36
GRIN1 Q05586 6/20 0.36
GRIN2A Q12879 6/20 0.36
GRIN2B Q13224 6/20 0.36
GRIN2C Q14957 6/20 0.36
GRIN3A Q8TCU5 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
EBP Q15125 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
PAX8 Q06710 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2552266 0.97 SIGMAR1 (0.41) SIGMAR1ESR1ESR2KDM4EGRIN2D
SCHEMBL12266826 0.97 SIGMAR1 (0.41) SIGMAR1ESR1ESR2KDM4EGRIN2D
SCHEMBL2552264 0.97 SIGMAR1 (0.41) SIGMAR1ESR1ESR2KDM4EGRIN2D
Hydrochloric Acid SCHEMBL2551936 0.94 SIGMAR1 (0.42) SIGMAR1ESR1ESR2KDM4EGRIN2D
Hydrochloric Acid SCHEMBL3290040 0.94 SIGMAR1 (0.44) SIGMAR1ESR1ESR2KDM4EGRIN2D
Hydrochloric Acid SCHEMBL1539025 0.94 SIGMAR1 (0.44) SIGMAR1ESR1ESR2KDM4EGRIN2D
SCHEMBL808900 0.91 SIGMAR1 (0.46) SIGMAR1ESR1ESR2KDM4EGRIN2D
Hydrochloric Acid SCHEMBL1049917 0.91 GRIN2D (0.40) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL2229008 0.91 SIGMAR1 (0.46) SIGMAR1ESR1ESR2KDM4EGRIN2D
Hydrochloric Acid SCHEMBL1685878 0.91 GRIN2D (0.40) SIGMAR1KDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175104-B2 Ethylene polymerization process and polyolefin E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-03 US disclosed
US-8916664-B2 Olefin polymerization process E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US disclosed
EP-2552973-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
EP-2552972-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
US-20120309915-A1 ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20120309916-A1 OLEFIN POLYMERIZATION PROCESS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
WO-2011126787-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed
WO-2011126784-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed