Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6901138

C1=C(c2ccccn2)C([Zr+2]C2C(c3ccccn3)=Cc3c(-c4cccc5ccccc45)cccc32)c2cccc(-c3cccc4ccccc34)c21.[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
ACHE known ✓ P22303 1/20 0.32
KDM4E B2RXH2 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TGFBR1 P36897 1/20 0.41
HTR2C P28335 2/20 0.39
DCTPP1 Q9H773 1/20 0.38
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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 SCHEMBL6905141 0.85 CYP11B1 (0.36) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6903334 0.83 TGFBR1 (0.38) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL6901048 0.82 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6897596 0.82 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1MAPTTP53
Hydrochloric Acid SCHEMBL6903579 0.79 SYK (0.40) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6901127 0.77 CA12 (0.35) KDM4EALDH1A1HPGDHSD17B10HTR2C
Hydrochloric Acid SCHEMBL6904281 0.77 NPC1 (0.34) KDM4ESMN1; SMN2MAPTHPGDNPC1
Hydrochloric Acid SCHEMBL6902696 0.77 PDK2 (0.30) PDK2
Hydrochloric Acid SCHEMBL7061934 0.77 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6903521 0.76 TGFBR1 (0.39) MAPTTP53TGFBR1TDP1HTT

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