Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7207137

O=C(Nc1ccccc1)c1cc(C(=O)c2cccc3ccccc23)ccc1O.[Cl-].[H+]

nearest known ligand 0.60

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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
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.60
EP300 Q09472 1/20 0.60
PRMT1 Q99873 1/20 0.60
DEGS1 O15121 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NR1H4 Q96RI1 1/20 0.49
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
ELANE P08246 1/20 0.46

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
SCHEMBL5486902 0.97 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.63) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1DEGS1MEN1
Hydrochloric Acid SCHEMBL7207139 0.96 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.62) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1DEGS1MEN1
SCHEMBL14582016 0.84 RXFP1 (0.66) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1TMPRSS4
SCHEMBL14582018 0.84 P2RX1 (0.60) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1DEGS1MEN1
SCHEMBL14582469 0.83 P2RX1 (0.62) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1MEN1KMT2A
SCHEMBL14582006 0.82 SIRT2 (0.58) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1MEN1KMT2A
SCHEMBL5494830 0.79 MCL1 (0.71) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1DEGS1MEN1
SCHEMBL31150345 0.78 DEGS1 (0.78) DEGS1MEN1KMT2AKDM4ELMNA
SCHEMBL368228 0.78 DEGS1 (0.78) DEGS1MEN1KMT2AKDM4ELMNA
SCHEMBL14582407 0.77 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.61) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300PRMT1DEGS1MEN1

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-1328507-A1 NAPHTHYLSALICYLANILIDES AS ANTIMICROBIAL AND ANTIINFLAMMATORY AGENTS The Research Foundation Of State University of New York (US) 2003-07-23 EP disclosed
WO-2002028819-A1 NAPHTHYLSALICYLANILIDES AS ANTIMICROBIAL AND ANTIINFLAMMATORY AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-04-11 WO disclosed