Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6553402

CC1=C(C)C(C)C([Zr+2](=C(c2ccccc2)c2ccccc2)c2cccc3c2Cc2ccccc2-3)=C1C.[Cl-].[Cl-]

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PNMT P11086 1/20 0.32

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 SCHEMBL6553935 0.87 NPC1 (0.38) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL3012217 0.83 NPC1 (0.33) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL10320383 0.82 PNMT (0.41) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL3006683 0.81 NPC1 (0.31) NPC1RAB9A
Hydrochloric Acid SCHEMBL2999082 0.80 NPC1 (0.31) NPC1RAB9A
Hydrochloric Acid SCHEMBL139575 0.80 NPC1 (0.31) NPC1RAB9A
Hydrochloric Acid SCHEMBL3005948 0.80 DRD2 (0.31) NPC1RAB9A
Hydrochloric Acid SCHEMBL7101940 0.78 NPC1 (0.35) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL138704 0.78 NPC1 (0.33) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL8858052 0.78 CES2 (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed