Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902608

Cc1ccc(C2C([Zr+2]C3=Cc4c(-c5ccccc5)cccc4C3c3ccc(C)o3)=Cc3c(-c4ccccc4)cccc32)o1.[Cl-].[Cl-]

nearest known ligand 0.34

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
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAPT P10636 5/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 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 SCHEMBL6897618 0.91 ADORA3 (0.30)
Hydrochloric Acid SCHEMBL6898324 0.88
Hydrochloric Acid SCHEMBL6902275 0.87 BRD4 (0.33)
Hydrochloric Acid SCHEMBL6902893 0.87 KDM4E (0.32) KDM4E
Hydrochloric Acid SCHEMBL6901351 0.87 BRD4 (0.33) SMN1; SMN2NPC1LMNARAB9A
Hydrochloric Acid SCHEMBL6903626 0.86 ALDH1A1 (0.32) ALDH1A1HPGDGAASMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL6898684 0.85 S1PR1 (0.30)
Hydrochloric Acid SCHEMBL6904273 0.84 MEN1 (0.33) ALDH1A1KDM4EHTTHPGDGAA
Hydrochloric Acid SCHEMBL6903351 0.84 HSD11B1 (0.32)
Hydrochloric Acid SCHEMBL6903911 0.84

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