Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5599787

C1=C(n2c3ccccc3c3ccccc32)C([Hf+2]C2C(n3c4ccccc4c4ccccc43)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.36

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR3 P46089 1/20 0.31
POLB P06746 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 SCHEMBL5600116 0.86 KDM4E (0.31) KDM4EATM
Hydrochloric Acid SCHEMBL5602208 0.81 CA1 (0.39) KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5601658 0.81 CA1 (0.40) KDM4EL3MBTL1
Fluoride Ion SCHEMBL5601165 0.79 CA1 (0.40) KDM4EL3MBTL1
Bromide SCHEMBL5602390 0.79 CA1 (0.40) KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5603754 0.78
Hydrochloric Acid SCHEMBL5600394 0.77 KDM4E (0.36) KDM4EATML3MBTL1GPR3POLB
SCHEMBL6064889 0.77 KDM4E (0.36) KDM4EATML3MBTL1GPR3POLB
Hydrochloric Acid SCHEMBL5602762 0.77 KDM4E (0.36) KDM4EATML3MBTL1GPR3POLB
Hydrochloric Acid SCHEMBL5602530 0.77 MAPT (0.34)

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