Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603719

CC1=Cc2ccc(-n3cnnc3)cc2[C@@H]1[Zr+2]([C@H]1C(C)=Cc2ccc(-n3cnnc3)cc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.30

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 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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 SCHEMBL5600515 0.86 CYP11B1 (0.39) CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5601937 0.83 NOTUM (0.39)
Hydrochloric Acid SCHEMBL5601805 0.75 KDM4E (0.31)
Hydrochloric Acid SCHEMBL5601419 0.73 HDAC6 (0.33)
Hydrochloric Acid SCHEMBL5602323 0.71
Hydrochloric Acid SCHEMBL29406880 0.70
Bromide SCHEMBL31126384 0.67 HTR2A (0.32)
Hydrochloric Acid SCHEMBL5602973 0.63 ADH5 (0.36) CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL966428 0.63
Hydrochloric Acid SCHEMBL5601713 0.63 ALDH1A1 (0.38)

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