Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8831988

CN(C)C([V+3]C1=CC=CC1)c1ccccc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.33

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 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
TDP1 Q9NUW8 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 SCHEMBL8832094 0.83 KCNA5 (0.32) ALDH1A1MEN1KMT2AHTR2AHRH1
Hydrochloric Acid SCHEMBL8852413 0.77 HTR2A (0.43) CYP2C9HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL8831930 0.72 MC4R (0.39) ALDH1A1MEN1KMT2AHTR2AHRH1
Hydrochloric Acid SCHEMBL8831536 0.71
Hydrochloric Acid SCHEMBL1973493 0.67
Hydrochloric Acid SCHEMBL8677325 0.65 SLC6A2 (0.39) KDM4EMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL8831856 0.65 KDM4E (0.33) KDM4EALDH1A1MEN1MAPTCYP2C9
Hydrochloric Acid SCHEMBL8831842 0.65 KDM4E (0.33) KDM4EALDH1A1MEN1MAPTCYP2C9
Hydrochloric Acid SCHEMBL8832130 0.65 KDM4E (0.33) KDM4EALDH1A1MEN1MAPTCYP2C9
SCHEMBL27493077 0.65 CHRNA7 (0.35) KDM4EALDH1A1MEN1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650528-A Metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1997-07-22 US disclosed
US-5646323-A COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-07-08 US disclosed
US-5591879-A INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1997-01-07 US disclosed
US-5578741-A OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-11-26 US disclosed
US-5565396-A METALLOCENE AND AN ORGANOALUMINOXANE COCATALYST FOR HOMO OR COPOLYMERIZING OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed
US-5563284-A COORDINATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1996-10-08 US disclosed
US-5554795-A Process for preparing cyclopentadienyl-type ligands PHILLIPS PETROLEUM COMPANY (US) 1996-09-10 US disclosed