Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176170

CC(=NNc1ccccc1)c1cccc(C(C)=NNc2ccccc2)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.54

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
KMT2A Q03164 10/20 0.54
MAPT P10636 9/20 0.54
MEN1 O00255 8/20 0.54
GAA P10253 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
GFER P55789 2/20 0.54
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45

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 SCHEMBL7176430 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7177522 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7179108 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7173800 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7177248 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7179015 0.97 KMT2A (0.54) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL23641153 0.96 MAPT (0.56) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7176692 0.85 MAPT (0.50) KMT2AMAPTMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7183183 0.84 MAPT (0.56) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL14540616 0.83 KMT2A (0.75) KMT2AMAPTMEN1GAASMN1; SMN2

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