Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904678

CCC(C)c1ccc(-c2cccc3c2C=C([Zr+2]C2=Cc4c(-c5ccc(C(C)CC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1.[Cl-].[Cl-]

nearest known ligand 0.33

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GPR88 Q9GZN0 1/20 0.31

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 SCHEMBL6898055 0.89 NPC1 (0.36) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL6904488 0.85 KMT2A (0.34) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6902388 0.85 NPC1 (0.36) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6899139 0.83 SYK (0.40) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6904002 0.83 NPC1 (0.42) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6903467 0.83 GPR88 (0.38) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6904743 0.81 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6903366 0.81 BRS3 (0.36) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6904019 0.81 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6902674 0.80 HTR2A (0.38) ALDH1A1NPC1RAB9AKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed