Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6897910

Cc1ccc(-c2cccc3c2C=C(c2ccc(C)o2)C3[Zr+2]C2C(c3ccc(C)o3)=Cc3c(-c4ccc(C)cc4)cccc32)cc1.[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 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
GSK3B P49841 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 SCHEMBL6903716 0.91 PTGS1 (0.34) KDM4EMEN1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL6905351 0.90 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6903247 0.90 GSK3B (0.31) GSK3B
Hydrochloric Acid SCHEMBL6898157 0.89 GSK3B (0.33) GSK3B
Hydrochloric Acid SCHEMBL6902390 0.89 BRD4 (0.31)
Hydrochloric Acid SCHEMBL6902074 0.88 HPGD (0.34) KDM4EMEN1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL6904150 0.87
Hydrochloric Acid SCHEMBL6902101 0.86 CHRM2 (0.33) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6902667 0.85 ALDH1A1 (0.32) MEN1ALDH1A1HPGDKMT2AGSK3B
Hydrochloric Acid SCHEMBL6904729 0.85 HSD11B1 (0.32) ALDH1A1MAPTNPSR1

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed