Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7947296

C/C(c1ccccc1)=[Zr+2](\[C@@H]1C=Cc2ccccc21)[C@H]1C=Cc2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.33
SIGMAR1 Q99720 6/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31

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 SCHEMBL437960 1.00 MEN1 (0.35) MEN1KMT2AATMSIGMAR1CES2
Hydrochloric Acid SCHEMBL438861 0.85 LMNA (0.31)
Hydrochloric Acid SCHEMBL273051 0.84 HTR2A (0.33) MEN1KMT2ASIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL29790372 0.84 HTR2A (0.33) MEN1KMT2ASIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL7996358 0.84 HTR2A (0.33) MEN1KMT2ASIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL436483 0.83 ATM (0.35) MEN1KMT2AATMSIGMAR1HTR6
Hydrochloric Acid SCHEMBL29674976 0.83 ATM (0.35) MEN1KMT2AATMSIGMAR1HTR6
Hydrochloric Acid SCHEMBL7945423 0.83 ATM (0.35) MEN1KMT2AATMSIGMAR1HTR6
SCHEMBL4576766 0.81 HTR2A (0.33) MEN1KMT2ASIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL7640268 0.79 HTR2A (0.33) MEN1KMT2ASIGMAR1HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324801-A Without ring opening; aluminoxane and a steriorigid metallocene catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-28 US claimed
US-6169052-B1 CATALYST SYSTEM COMPRISING ALUMINOXANE AND A STEREORIGID METALLOCENE COMPOUND TARGOR GMBH (DE) 2001-01-02 US disclosed
US-5324801-A Without ring opening; aluminoxane and a steriorigid metallocene catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-28 US disclosed