Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9459288

C[n+]1cccc(O)c1/C=N/NC(=O)Nc1ccccc1.[Cl-]

nearest known ligand 0.53

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
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
CSF1R P07333 1/20 0.50

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 SCHEMBL9152953 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9280526 0.99 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9459226 0.86 XDH (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9251328 0.86 XDH (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9458934 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9251283 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL909245 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL719522 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9151158 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9150467 0.82 RAB9A (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-5180831-A Acetylcholinesterase Inhibitors GEORGIA TECH RESEARCH CORPORATION (US) 1993-01-19 US disclosed