Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2548838

CCCCc1ccccc1N=C(C)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 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIPG Q9Y5X9 1/20 0.31
TLR8 Q9NR97 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2548184 0.98 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL2548183 0.98 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL2548833 0.95 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL18543925 0.89 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL7177253 0.84 KCNH2 (0.37) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL21113622 0.83 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL2551938 0.82 SIGMAR1 (0.40) CYP2C9HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7183693 0.82 TLR8 (0.33) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL7172221 0.81 KCNH2 (0.37) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL7184074 0.81 KCNH2 (0.37) CYP3A4CYP2D6CYP2C9LMNAHTT

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-2011126784-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed
WO-2011126787-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed