Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7175677

CN(C)CCn1c(-c2cccc(-c3nc4ccccc4n3CCN(C)C)n2)nc2ccccc21.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.51

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
POLB P06746 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.47
TOP2A P11388 1/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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 SCHEMBL7178467 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7176360 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7176648 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7181491 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7176838 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7180433 0.97 POLB (0.51) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7173138 0.86 PKM (0.65) POLBHDAC1HDAC8HDAC6L3MBTL1
Hydrochloric Acid SCHEMBL7175894 0.86 ALDH1A1 (0.45) L3MBTL1HPGDKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7178837 0.84 MAPT (0.59) POLBL3MBTL1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7173332 0.84 PKM (0.65) POLBHDAC1HDAC8HDAC6L3MBTL1

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