Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8459502

C1=CCC([Zr+2]c2cc3ccccc3[nH]2)=C1.[Cl-].[Cl-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
AOC3 Q16853 2/20 0.36
BRD4 O60885 1/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
FLT3 P36888 1/20 0.33
CYP2A6 P11509 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
DAO P14920 2/20 0.33
HPGD P15428 2/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DDO Q99489 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
Indene SCHEMBL4447982 0.89 BRD4 (0.32) KDM4EMAPTALDH1A1BRD4CA1
Hydrochloric Acid SCHEMBL9010289 0.71 KDM4E (0.33) KDM4EMAPTALDH1A1AOC3BRD4
Hydrochloric Acid SCHEMBL8462951 0.71 AOC3 (0.47) KDM4EMAPTALDH1A1AOC3BRD4
Hydrochloric Acid SCHEMBL8459779 0.70 CYP2A6 (0.37) KDM4EMAPTALDH1A1AOC3BRD4
Hydrochloric Acid SCHEMBL814467 0.69
Hydrochloric Acid SCHEMBL8458802 0.69 CYP2A6 (0.33) KDM4EMAPTALDH1A1AOC3BRD4
Hydrochloric Acid SCHEMBL8462413 0.69 FLT3 (0.33) KDM4EMAPTALDH1A1AOC3BRD4
Hydrochloric Acid SCHEMBL8460258 0.69 AHR (0.42) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL19753898 0.68 RAB9A (0.50) KDM4EMAPTALDH1A1AOC3BRD4
SCHEMBL8309579 0.68 RAB9A (0.46) KDM4EMAPTALDH1A1AOC3BRD4

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