Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902732

CCc1cccc2c1C=C(c1ccccn1)C2[Zr+2]C1C(c2ccccn2)=Cc2c(CC)cccc21.[Cl-].[Cl-]

nearest known ligand 0.36

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 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.36
GRM5 P41594 2/20 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
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 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 SCHEMBL6904962 0.84 CYP3A4 (0.37) CCR1CCR5CCR8ALDH1A1
Hydrochloric Acid SCHEMBL6904281 0.82 NPC1 (0.34) GRM5KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL6898599 0.82 GRM5 (0.34) TRPM8GRM5KDM4ELMNATP53
Hydrochloric Acid SCHEMBL6901951 0.79 HTT (0.34) KDM4ELMNATP53CCR1CCR5
Hydrochloric Acid SCHEMBL6903454 0.79 KDM4E (0.33) KDM4ELMNATP53CCR1CCR5
Hydrochloric Acid SCHEMBL6903334 0.77 TGFBR1 (0.38) GRM5KDM4ELMNATP53CCR1
Hydrochloric Acid SCHEMBL6902927 0.77 BRS3 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6903579 0.76 SYK (0.40) GRM5KDM4ELMNATP53CCR1
Hydrochloric Acid SCHEMBL6903767 0.75 KDM4E (0.43) KDM4ELMNATP53CCR1CCR5
Hydrochloric Acid SCHEMBL6901151 0.75 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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