Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180490

CC(=NC(C)C)c1cccc(C(C)=NC(C)C)n1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.41

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 4/20 0.37
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
AGTR1 P30556 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HKDC1 Q2TB90 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 SCHEMBL7177809 0.96 KDM4E (0.37) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL7173470 0.96 KDM4E (0.37) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL7173994 0.96 KDM4E (0.37) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL7172269 0.96 KDM4E (0.37) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL7180440 0.96 KDM4E (0.37) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL6916473 0.96 KDM4E (0.38) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL6916470 0.96 KDM4E (0.38) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14804877 0.80 KDM4E (0.35) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL7183159 0.79 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL241812 0.78 KDM4E (0.63) KDM4ETDP1KMT2AMAPTMEN1

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