Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8460240

CC1=C(C)C2([Ti+2]c3cc4ccccc4[nH]3)C(=C1C)CC2C.[Cl-].[Cl-]

nearest known ligand 0.33

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 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
BRD4 O60885 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CREBBP Q92793 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HDAC8 Q9BY41 2/20 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 SCHEMBL8461920 0.79 AHR (0.36) BRD4CREBBP
Hydrochloric Acid SCHEMBL8461853 0.77
Hydrochloric Acid SCHEMBL8459863 0.72 BRD4 (0.33) CHRNA7BRD4HRH3AURKAAURKB
Hydrochloric Acid SCHEMBL8463906 0.66 BRD4 (0.37) BRD4AURKAAURKBLOXL2
Hydrochloric Acid SCHEMBL8459750 0.64 AOC3 (0.47) BRD4AURKAAURKBLOXL2
Hydrochloric Acid SCHEMBL9010009 0.62 BRD4 (0.34) BRD4AURKAAURKB
Hydrochloric Acid SCHEMBL8462828 0.60 CYP2A6 (0.43) BRD4LOXL2
Hydrochloric Acid SCHEMBL8462825 0.58 AOC3 (0.32)
Hydrochloric Acid SCHEMBL8463413 0.57 KDM4E (0.36) BRD4LOXL2HRH4
2-Methylindole SCHEMBL12420 0.56 BRD4 (0.57) BRD4AURKAAURKBLOXL2

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-0741145-B1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed