Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7705066

CC1=Cc2ccc(-c3ccccc3)cc2C1[Zr+2].[Cl-].[Cl-]

nearest known ligand 0.34

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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
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2B P41595 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
HTR1A P08908 1/20 0.31
CYP1A2 P05177 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 SCHEMBL4094393 0.87 MAOA (0.33) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL1452154 0.77 HTR2C (0.34) GAAKDM4EMEN1KMT2AALOX5
SCHEMBL1454121 0.77 HTR2C (0.34) GAAKDM4EMEN1KMT2AALOX5
Hydrochloric Acid SCHEMBL812105 0.76 CYP11B1 (0.33) LMNAALOX12
SCHEMBL1453031 0.75 HTR2C (0.33) GAAALOX5L3MBTL1HTR2CTNKS2
SCHEMBL1454234 0.75 GAA (0.37) GAAKDM4EMEN1KMT2ANPC1
SCHEMBL4652087 0.75 L3MBTL1 (0.32) GAAKDM4EMEN1MAPTKMT2A
Toluene SCHEMBL28844221 0.75 LMNA (0.42) LMNAALOX12
SCHEMBL7705069 0.74 HTR2B (0.32) GAANPC1ALOX5L3MBTL1HTR2C
Hydrochloric Acid SCHEMBL8845274 0.74 KDM4E (0.30) KDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37573-E1 Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands BASELL POLYOLEFIN GMBH (DE) 2002-03-05 US disclosed
US-5455365-A Metallocene compound containing substituted indenyl ligand and transition metal element from groups IVb, Vb, or VIb; addition polymerization with aluminoxane cocatalyst HOECHST AG (DE) 1995-10-03 US disclosed