Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7721080

CN1C=C[N+]=C1CCCNc1cc(NCCCn2cc[n+](C)c2)ccc1N.[Cl-].[Cl-]

nearest known ligand 0.32

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 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL8095621 0.99 MEN1 (0.31) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL5537944 0.76 NPC1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL7252504 0.75 NPC1 (0.39) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2924995 0.75 NPC1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL5227051 0.74 MEN1 (0.42) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL6151825 0.74 BCL6 (0.33) MAPTHTTRAB9AKMT2ASMN1; SMN2
SCHEMBL14784855 0.74 SMN1; SMN2 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL7700418 0.73 MEN1 (0.41) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL5158086 0.73 MEN1 (0.43) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL7625474 0.72 KDM4E (0.37) MEN1APAF1NPC1PLA2G1BHSP90AA1

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-6383230-B1 COLORFASTNESS, PHOTOSTABILITY, WATERPROOFING, WEATHERPROOFING L'OREAL (FR) 2002-05-07 US disclosed