Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7183693

CCCCc1cc(C)cc(CCCC)c1N=C(C)c1cccc(C(C)=Nc2c(CCCC)cc(C)cc2CCCC)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.33

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 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.33
NOS2 P35228 2/20 0.33
KCNH2 Q12809 1/20 0.33
TYR P14679 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
NOS1 P29475 1/20 0.30

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 SCHEMBL7179111 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7176665 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7188585 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7175253 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7178990 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7172485 0.97 TLR8 (0.33) TLR8NOS2KCNH2TYRCYP1A2
Hydrochloric Acid SCHEMBL7179263 0.92 CYP1A2 (0.33) NOS2CYP1A2NOS1
Hydrochloric Acid SCHEMBL7185415 0.91 NOS2 (0.36) TLR8NOS2TYRHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7183136 0.90 TLR8 (0.33) TLR8NOS2KCNH2TYRHTT
Hydrochloric Acid SCHEMBL7183137 0.90 TRPV1 (0.34) TLR8KCNH2TYRHTTSMN1; 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