Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603344

C1=C(n2cccc2)C([Zr+2]C2C(n3c4c(c5ccccc53)CCC4)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.35

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 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MAPT P10636 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 3/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TSHR P16473 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 SCHEMBL5603585 0.98 CA1 (0.36) CA1CA2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5603140 0.93 CA1 (0.39) CA1CA2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5600409 0.91 CA1 (0.40) CA1CA2MAPTMEN1KMT2A
Bromide SCHEMBL5600682 0.91 CA1 (0.39) CA1CA2MAPTMEN1KMT2A
Fluoride Ion SCHEMBL5603612 0.91 CA1 (0.39) CA1CA2MAPTMEN1KMT2A
Fluoride Ion SCHEMBL5601302 0.89 CA1 (0.40) CA1CA2MAPTMEN1KMT2A
Bromide SCHEMBL5600399 0.89 CA1 (0.40) CA1CA2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5601254 0.86 CA1 (0.33) CA1CA2
Hydrochloric Acid SCHEMBL5603823 0.84 KDM4E (0.31) KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5600157 0.84 CA1 (0.33) CA1CA2MAPTMEN1KMT2A

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