Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7178971

COc1ccc2c(c1)nc(-c1cccc(-c3nc4cc(OC)ccc4n3C)n1)n2C.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.52

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
ACHE known ✓ P22303 1/20 0.41
ACSS2 Q9NR19 1/20 0.52
AKT1 P31749 1/20 0.49
KDR P35968 1/20 0.49
PLK1 P53350 1/20 0.49
PTK2 Q05397 1/20 0.49
AURKB Q96GD4 1/20 0.49
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 4/20 0.44

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 SCHEMBL7180788 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7172206 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7176440 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7175675 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7183253 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7171156 0.97 ACSS2 (0.52) ACSS2AKT1KDRPLK1PTK2
SCHEMBL4815043 0.90 CA12 (0.53) ACSS2AKT1KDRPLK1PTK2
SCHEMBL4814447 0.88 ACSS2 (0.49) ACSS2AKT1KDRPLK1PTK2
SCHEMBL4814246 0.82 KDR (0.50) ACSS2AKT1KDRPLK1PTK2
Hydrochloric Acid SCHEMBL7176394 0.82 ACSS2 (0.50) ACSS2KDRPLK1PTK2AURKB

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