Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8459863

CC1=C(C)C2([Zr+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 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.33
CHRNA7 P36544 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CREBBP Q92793 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HDAC8 Q9BY41 2/20 0.30
AOC3 Q16853 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 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 SCHEMBL8460240 0.72 CHRNA7 (0.33) BRD4CHRNA7HRH3AURKAAURKB
Hydrochloric Acid SCHEMBL8461929 0.71 KIF11 (0.32)
Hydrochloric Acid SCHEMBL8460029 0.67 BRD4 (0.37) BRD4AURKAAURKBLOXL2AOC3
Hydrochloric Acid SCHEMBL8462951 0.65 AOC3 (0.47) BRD4AURKAAURKBLOXL2AOC3
Hydrochloric Acid SCHEMBL9010161 0.63 BRD4 (0.34) BRD4AURKAAURKBAOC3
Hydrochloric Acid SCHEMBL8461712 0.63
Hydrochloric Acid SCHEMBL8461920 0.62 AHR (0.36) BRD4CREBBPNR3C1
Hydrochloric Acid SCHEMBL8463556 0.61 AOC3 (0.42) BRD4AURKAAURKBLOXL2AOC3
Hydrochloric Acid SCHEMBL8459502 0.58 KDM4E (0.36) BRD4LOXL2HRH4AOC3
Hydrochloric Acid SCHEMBL8464182 0.57 CYP2A6 (0.33) BRD4HRH3LOXL2HRH4AOC3

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