Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5602113

C1=CCC([Hf+2]C2C(n3cnc4ccccc43)=Cc3ccccc32)=C1.[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 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HTT P42858 3/20 0.35
FGFR1 P11362 3/20 0.34
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33
PIK3CB P42338 1/20 0.33
ROCK1 Q13464 1/20 0.32
MAPK1 P28482 1/20 0.32
LCK P06239 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 SCHEMBL5600258 0.82 RAB9A (0.35)
Hydrochloric Acid SCHEMBL5600439 0.81
Hydrochloric Acid SCHEMBL5603333 0.81 BIRC5 (0.32)
Hydrochloric Acid SCHEMBL5603648 0.80 POLB (0.44) POLBHTTFGFR1MKNK1MKNK2
Hydrochloric Acid SCHEMBL5603925 0.80
Hydrochloric Acid SCHEMBL5600346 0.79 HTT (0.34) POLBHTTFGFR1MKNK1MKNK2
Hydrochloric Acid SCHEMBL5603754 0.79
Hydrochloric Acid SCHEMBL5603302 0.77
Hydrochloric Acid SCHEMBL5603247 0.77 CYP11B2 (0.37) MAPK1
Hydrochloric Acid SCHEMBL5603082 0.77 POLB (0.35) POLBHTTFGFR1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed