Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5077945

CC(=O)c1cccc(C(C)=O)n1.N=C1C(Br)=CC=CC1Br.N=C1C(Br)=CC=CC1Br.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.34

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
ALDH1A1 P00352 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL1079384 0.75 ALDH1A1 (0.35) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL5082319 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL1070862 0.74 KDM4E (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL1078463 0.74 KDM4E (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL28930333 0.72 ALDH1A1 (0.58) ALDH1A1IRAK4KDM4EALOX15TSHR
Bromide SCHEMBL933202 0.72 CYP1A2 (0.33) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL1077104 0.72 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL1070626 0.71 KDM4E (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL1071561 0.71 KDM4E (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL933207 0.70 CYP1A2 (0.33) ALDH1A1KDM4EALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027192-A1 Process for Preparing Catalyst Systems Comprising Late Transition Metals BASELL POLYOLEFINE GMBH (DE) 2008-01-31 US disclosed
EP-1817349-A1 PROCESS FOR PREPARING CATALYST SYSTEMS COMPRISING LATE TRANSITION METALS Basell Polyolefine GmbH (DE) 2007-08-15 EP disclosed
WO-2006058746-A1 PROCESS FOR PREPARING CATALYST SYSTEMS COMPRISING LATE TRANSITION METALS BASELL POLYOLEFINE GMBH (DE) 2006-06-08 WO disclosed