Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902682

Cc1ccc(C2C([Zr+2]C3=Cc4c(C(C)C)cccc4C3c3ccc(C)o3)=Cc3c(C(C)C)cccc32)o1.[Cl-].[Cl-]

nearest known ligand 0.32

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 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 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 SCHEMBL6902275 0.81 BRD4 (0.33)
SCHEMBL6898602 0.81 MAPT (0.33) MAPTKDM4ETDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6902700 0.80 SLC6A2 (0.33) MAPTKDM4ETDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6902608 0.79 ALDH1A1 (0.34) MAPTKDM4ESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6897618 0.78 ADORA3 (0.30)
Hydrochloric Acid SCHEMBL6904273 0.76 MEN1 (0.33) MAPTKDM4ESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6903911 0.76
Hydrochloric Acid SCHEMBL6902670 0.75 SLC6A2 (0.38) MAPTKDM4ETDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6898324 0.75
Hydrochloric Acid SCHEMBL6902846 0.74 SLC6A2 (0.31) MAPTKDM4ESLC6A2SLC6A4SLC6A3

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