Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7173138

CCN(CC)CCn1c(-c2cccc(-c3nc4ccccc4n3CCN(CC)CC)n2)nc2ccccc21.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.65

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
PKM P14618 1/20 0.65
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD3 P35462 3/20 0.52
DRD2 P14416 2/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
RAD52 P43351 1/20 0.51
RAB9A P51151 1/20 0.51
SMARCA2 P51531 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 2/20 0.49
TOP2A P11388 1/20 0.48

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 SCHEMBL7173346 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7176318 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7181170 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7177159 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7180531 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7173332 0.97 PKM (0.65) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7175677 0.86 POLB (0.51) PKMALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL7180460 0.86 PKM (0.50) PKMALDH1A1HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL7178837 0.85 MAPT (0.59) ALDH1A1HPGDKDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL7173919 0.84 PKM (0.50) PKMALDH1A1HPGDKDM4ETSHR

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