Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7734556

C1=C(c2ccco2)C([Hf+2]C2C(c3ccco3)=Cc3c(-c4cccc5ccccc45)cccc32)c2cccc(-c3cccc4ccccc34)c21.[Cl-].[Cl-]

nearest known ligand 0.37

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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 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32

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 SCHEMBL7731502 0.87 ALDH1A1 (0.39) KDM4EMAPTKMT2ACASP3SENP8
Hydrochloric Acid SCHEMBL7730993 0.84 SMARCA2 (0.35) KDM4EMAPTKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7061934 0.83 KDM4E (0.33) KDM4EMAPTKMT2ACASP3SENP8
Hydrochloric Acid SCHEMBL7728448 0.83 KDM4E (0.33) KDM4EMAPTKMT2ACASP3SENP8
Hydrochloric Acid SCHEMBL27494671 0.81 ALDH1A1 (0.38) KDM4EMAPTKMT2ACASP3SENP8
SCHEMBL7061941 0.80 KDM4E (0.32) KDM4EMAPTKMT2ACASP3SENP8
SCHEMBL7734561 0.80 ALDH1A1 (0.33) KDM4EMAPTKMT2ACASP3SENP8
SCHEMBL7728456 0.80 KDM4E (0.32) KDM4EMAPTKMT2ACASP3SENP8
Hydrochloric Acid SCHEMBL5950995 0.77 KDM4E (0.33) KDM4EMAPTKMT2ACASP3SENP8
Hydrochloric Acid SCHEMBL7722394 0.77 ALDH1A1 (0.34) HSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed