Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7717460

COc1ccc([Zr+2](C2=CC=CC2)=C(C)C)c2c1-c1ccccc1C2.[Cl-].[Cl-]

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.31
USP2 O75604 1/20 0.31
DUSP3 P51452 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MIF P14174 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 SCHEMBL7715132 0.89 KDM4E (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6555607 0.85 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL8854618 0.84 KDR (0.31)
Hydrochloric Acid SCHEMBL7716232 0.83
Hydrochloric Acid SCHEMBL9412827 0.83 ALDH1A1 (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8854628 0.81 NPC1 (0.34) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7717008 0.81 KDM4E (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL216652 0.80 NPC1 (0.40) ALDH1A1NPC1RAB9A
Syringol SCHEMBL7930372 0.80 RAB9A (0.34) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7711397 0.80

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-5688735-A COORDINATION CATALYST FINA TECHNOLOGY, INC. (US) 1997-11-18 US claimed
US-6372681-B1 METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2002-04-16 US disclosed
EP-0942006-A2 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORPORATION (JP) 1999-09-15 EP disclosed