Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7934576

COc1ccc([Zr+2](C2=CC(C)=C(C)C2)=C(c2ccccc2)c2ccccc2)c2c1-c1ccccc1C2.[Cl-].[Cl-]

nearest known ligand 0.38

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.31
DUSP3 P51452 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MIF P14174 1/20 0.30
FGB P02675 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
ADORA2A P29274 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 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 SCHEMBL8823196 0.86 KDM4E (0.35) MEN1ALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7945307 0.84
Hydrochloric Acid SCHEMBL8823178 0.83 KDM4E (0.41) MEN1ALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7715132 0.83 KDM4E (0.36) MEN1ALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL1237144 0.82 NPC1 (0.34) RAB9ANPC1
Hydrochloric Acid SCHEMBL442026 0.73
Hydrochloric Acid SCHEMBL6553485 0.71
Hydrochloric Acid SCHEMBL7717460 0.71 MAPT (0.38) MEN1ALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7934587 0.71 PGR (0.31)
Hydrochloric Acid SCHEMBL7107822 0.70 PNMT (0.33) RAB9ANPC1

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-6316558-B1 POLYMERIZING OLEFIN USING CATALYST COMPRISING TRANSITION METAL COMPOUND, COMPOUND CAPABLE OF A REACTING WITH TRANSITION METAL COMPOUND TO FORM A CATIONIC TRANSITION METAL COMPOUND, ORGANOMETALLIC TO FORM POLYOLEFIN TOSOH CORPORATION (JP) 2001-11-13 US disclosed
EP-0786466-A1 Transition metal compound, olefin polymerization catalyst comprising the compound, and process for production of olefin polymer Tosoh Corporation (JP) 1997-07-30 EP disclosed