Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603694

CC1=Cc2c(-c3ccc(C)cc3)cc(-n3cccn3)cc2[C@@H]1[Zr+2]([C@H]1C(C)=Cc2c(-c3ccc(C)cc3)cc(-n3cccn3)cc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.31

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
GRM5 P41594 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 SCHEMBL5603295 0.93 MAPT (0.31) MAPT
Hydrochloric Acid SCHEMBL5601276 0.82 MEN1 (0.31) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5602769 0.81 KDM4E (0.33) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5603782 0.81
Hydrochloric Acid SCHEMBL5602973 0.81 ADH5 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL5600265 0.79 NR3C1 (0.33) LRRK2
Hydrochloric Acid SCHEMBL5601350 0.78 BCHE (0.31)
Hydrochloric Acid SCHEMBL5602660 0.78 P2RX4 (0.31)
Hydrochloric Acid SCHEMBL5603401 0.77 PDK2 (0.36) GRM5MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5601713 0.76 ALDH1A1 (0.38) MAPTKMT2A

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