Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5555558

CC[N+]1(COP(=O)(OCc2ccccc2)OCc2ccccc2)CCCC1CNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.[Cl-]

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.39
BCL6 P41182 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTK2 Q05397 1/20 0.33
GALR2 O43603 2/20 0.33
PDE5A O76074 1/20 0.32
AURKA O14965 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AXL P30530 2/20 0.32
AGER Q15109 1/20 0.32

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
SCHEMBL5554481 0.99 GALR1 (0.39) GALR1BCL6MEN1MAPTHTT
Hydrochloric Acid SCHEMBL5549891 0.89 GALR1 (0.40) GALR1BCL6MEN1MAPTHTT
Hydrochloric Acid SCHEMBL5554560 0.89 GALR1 (0.42) GALR1BCL6MEN1MAPTHTT
SCHEMBL5553377 0.88 GALR1 (0.40) GALR1BCL6MEN1MAPTHTT
SCHEMBL5554504 0.88 GALR1 (0.42) GALR1BCL6MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL5553449 0.85 GALR1 (0.39) GALR1BCL6MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL5554479 0.83 GALR1 (0.39) GALR1BCL6MEN1MAPTHTT
SCHEMBL4838523 0.82 GALR1 (0.48) GALR1BCL6MEN1MAPTHTT
Iodide SCHEMBL5553524 0.81 GALR1 (0.47) GALR1BCL6MEN1MAPTHTT
Hydrochloric Acid SCHEMBL5555562 0.80 GALR1 (0.38) GALR1BCL6MEN1MAPTHTT

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
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed