Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5601458

CC1=Cc2c(-c3ccccc3)cc(-n3ncc4ccccc43)cc2[C@@H]1[Zr+2]([C@H]1C(C)=Cc2c(-c3ccccc3)cc(-n3ncc4ccccc43)cc21)=[Si](C)C.[Cl-].[Cl-]

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 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NR3C1 P04150 4/20 0.33
PGR P06401 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KHK P50053 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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 SCHEMBL5600265 0.94 NR3C1 (0.33) CYP11B1CYP11B2NR3C1PGRLRRK2
Hydrochloric Acid SCHEMBL5601059 0.83 NR3C1 (0.31) CYP11B1CYP11B2NR3C1
Hydrochloric Acid SCHEMBL5601996 0.81 CYP11B2 (0.37) CYP11B1CYP11B2NR3C1PGRLRRK2
Hydrochloric Acid SCHEMBL5603295 0.80 MAPT (0.31)
Hydrochloric Acid SCHEMBL5601805 0.79 KDM4E (0.31)
Hydrochloric Acid SCHEMBL5602879 0.79
Hydrochloric Acid SCHEMBL5600524 0.78 ESR2 (0.31)
Hydrochloric Acid SCHEMBL5602836 0.78
Hydrochloric Acid SCHEMBL5601097 0.77 SCN9A (0.31) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5602274 0.77 MEN1 (0.40) CYP11B1CYP11B2

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed