Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603295

CC1=Cc2c(-c3ccccc3)cc(-n3cccn3)cc2[C@@H]1[Zr+2]([C@H]1C(C)=Cc2c(-c3ccccc3)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 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 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 SCHEMBL5603694 0.93 GRM5 (0.31) MAPT
Hydrochloric Acid SCHEMBL5601713 0.83 ALDH1A1 (0.38) MAPTHTTNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL5601805 0.83 KDM4E (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL5602879 0.82
Hydrochloric Acid SCHEMBL5602274 0.82 MEN1 (0.40) NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL5601624 0.82 MAPK1 (0.32) MAPTMAPK1HTTNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL5600524 0.82 ESR2 (0.31)
Hydrochloric Acid SCHEMBL5601458 0.80 CYP11B1 (0.34)
Hydrochloric Acid SCHEMBL5601498 0.78
Hydrochloric Acid SCHEMBL5600939 0.78

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