Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903767

C1=C(c2ccccn2)C([Zr+2]C2C(c3ccccn3)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.43

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
CHRM2 known ✓ P08172 1/20 0.38
CHRM1 known ✓ P11229 1/20 0.38
CHRM3 known ✓ P20309 1/20 0.38
KDM4E B2RXH2 7/20 0.43
LMNA P02545 3/20 0.43
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
NPC1 O15118 5/20 0.38
TP53 P04637 4/20 0.38
RAB9A P51151 4/20 0.38
ALOX15 P16050 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL6897793 0.81 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6902595 0.80 CCR1 (0.43) CCR1CCR5CCR8NPC1TP53
Hydrochloric Acid SCHEMBL7063758 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6902452 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7061664 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6903334 0.76 TGFBR1 (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7063759 0.76 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7061668 0.76 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7064228 0.76 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6901951 0.75 HTT (0.34) KDM4ELMNACCR1CCR5CCR8

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 6 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-6635733-B2 Coordination catalyst; radiation transparent, elasticity CHISSO CORPORATION (JP) 2003-10-21 US disclosed
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed
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
US-20020002261-A1 Elastomeric polypropylene JNC PETROCHEMICAL CORPORATION (JP) 2002-01-03 US disclosed
US-20010031834-A1 Using coordination catalyst; flexibility, elasticity; molding materials CHISSO CORPORATION 2001-10-18 US disclosed