Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7934570

CC1=CCC([Zr+2](=C(c2ccccc2)c2ccccc2)C2c3ccccc3-c3c2cccc3N(C)C)=C1.[Cl-].[Cl-]

nearest known ligand 0.30

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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 8)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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 SCHEMBL455000 0.85
Hydrochloric Acid SCHEMBL7945309 0.84 NSD2 (0.32) NSD2ALDH1A1EGFRLMNAMAPT
Hydrochloric Acid SCHEMBL7716249 0.84 NSD2 (0.31) NSD2ALDH1A1EGFRLMNAMAPT
Hydrochloric Acid SCHEMBL8823197 0.83 NR3C1 (0.38) ALDH1A1LMNAMAPT
Fluoride Ion SCHEMBL7635122 0.83
Hydrochloric Acid SCHEMBL7942050 0.81 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL7945479 0.79 GPR3 (0.30)
Hydrochloric Acid SCHEMBL17743504 0.75
Hydrochloric Acid SCHEMBL8823193 0.75 GAA (0.33) ALDH1A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL452344 0.74 TSHR (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 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