Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7181522

CC1COC(c2cccc(C3=NC(C)CO3)n2)=N1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.42

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 2/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR1 P32246 1/20 0.31
HTT P42858 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7171375 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7173060 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7173290 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7176802 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7179383 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7173073 0.96 KDM4E (0.42) KDM4EMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL14154741 0.96 KDM4E (0.44) KDM4EMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5176371 0.96 KDM4E (0.44) KDM4EMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL28571116 0.96 KDM4E (0.44) KDM4EMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5945715 0.83 ALDH1A1 (0.50) KDM4EMAPTNPC1SMN1; SMN2RAB9A

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
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed