Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7183796

Cc1ccc2c(c1)nc(-c1cccc(-c3nc4cc(C)ccc4n3C)n1)n2C.[Cl-].[Cl-].[V+2]

nearest known ligand 0.50

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
ACSS2 Q9NR19 1/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KDR P35968 4/20 0.45
PTK2 Q05397 4/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
PLK1 P53350 2/20 0.41
AURKB Q96GD4 1/20 0.41
AGPAT2 O15120 1/20 0.41

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 SCHEMBL7175841 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7173979 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7183283 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7181558 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7177258 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7176394 0.97 ACSS2 (0.50) ACSS2CA12CA9KDRPTK2
SCHEMBL12354513 0.84 CA12 (0.66) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7180788 0.82 ACSS2 (0.52) ACSS2CA12CA9KDRPTK2
Hydrochloric Acid SCHEMBL7178625 0.81 MEN1 (0.60) KDRPTK2HSD17B10KDM4ENPC1
Hydrochloric Acid SCHEMBL7171156 0.79 ACSS2 (0.52) ACSS2CA12CA9KDRPTK2

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