Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176751

Cc1cccc(C)c1N=Cc1cccc(C=Nc2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.39

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
NR4A1 P22736 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 2/20 0.35
GAA P10253 1/20 0.35
CTH P32929 1/20 0.34
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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 SCHEMBL7181267 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
Hydrochloric Acid SCHEMBL7179444 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
Hydrochloric Acid SCHEMBL7171706 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
Hydrochloric Acid SCHEMBL7177279 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
Hydrochloric Acid SCHEMBL7174410 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
Hydrochloric Acid SCHEMBL7176698 0.96 NR4A1 (0.36) NR4A1KDM4ENPSR1TDP1MAOA
SCHEMBL5589354 0.96 CTH (0.36) NR4A1KDM4ENPSR1TDP1MAOA
SCHEMBL5589346 0.96 CTH (0.36) NR4A1KDM4ENPSR1TDP1MAOA
SCHEMBL5587761 0.94 CTH (0.35) NR4A1KDM4ENPSR1TDP1MAOA
SCHEMBL5693787 0.94 CTH (0.35) NR4A1KDM4ENPSR1TDP1MAOA

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