Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6901951

CC(C)c1cccc2c1C=C(c1ccccn1)C2[Zr+2]C1C(c2ccccn2)=Cc2c(C(C)C)cccc21.[Cl-].[Cl-]

nearest known ligand 0.34

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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 0.34
CHRM1 known ✓ P11229 1/20 0.34
CHRM3 known ✓ P20309 1/20 0.34
HTT P42858 3/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
KDM4E B2RXH2 4/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33

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 SCHEMBL6902216 0.84 CCR1 (0.36) CCR1CCR5CCR8
SCHEMBL6900038 0.82 HTT (0.34) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6903521 0.81 TGFBR1 (0.39) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6903454 0.79 KDM4E (0.33) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6902732 0.79 TRPM8 (0.36) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6903334 0.77 TGFBR1 (0.38) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6903579 0.76 SYK (0.40) HTTKDM4ELMNATP53CCR1
Hydrochloric Acid SCHEMBL6899142 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6903767 0.75 KDM4E (0.43) HTTCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6904046 0.75 ALDH1A1 (0.33) LMNASMN1; SMN2TDP1L3MBTL1CYP1A2

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