Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7181352

Cc1cnc(-c2cccc(-c3ncc(C)n3C)n2)n1C.[Cl-].[Cl-].[Cl-].[V+3]

nearest known ligand 0.38

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
BDKRB2 known ✓ P30411 1/20 0.34
ACHE known ✓ P22303 1/20 0.31
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
ALOX15 P16050 1/20 0.38
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36

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 SCHEMBL7175992 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7171654 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7179144 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7183205 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7171297 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7177150 0.96 KDM4E (0.38) TP53SMN1; SMN2HTTKDM4ECCR1
SCHEMBL21893772 0.81 NPC1 (0.48) TP53SMN1; SMN2HTTKDM4ECCR1
Hydrochloric Acid SCHEMBL7181457 0.75 LMNA (0.40) SMN1; SMN2KDM4ELMNAMAPK1RAB9A
Hydrochloric Acid SCHEMBL7173377 0.72 LMNA (0.40) SMN1; SMN2KDM4ELMNAMAPK1RAB9A
Hydrochloric Acid SCHEMBL7182832 0.72 LMNA (0.40) SMN1; SMN2KDM4ELMNAMAPK1RAB9A

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