Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7183835

CCCCc1cc(C)cc(CCCC)c1N=C(C)c1cc(C)cc(C(C)=Nc2c(CCCC)cc(C)cc2CCCC)n1.[Cl-].[Cl-].[V+2]

nearest known ligand 0.36

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 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.31
TLR8 Q9NR97 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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 SCHEMBL7185415 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7180919 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175854 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7176643 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7177918 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7172334 0.97 NOS2 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175589 0.93 MAPK1 (0.36) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7180970 0.91 NOS3 (0.33) NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7181174 0.91 TLR8 (0.33) NOS2ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7188585 0.91 TLR8 (0.33) NOS2ALDH1A1MAPTHTTSMN1; 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