Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903340

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3[Zr+2]C2C(c3ccc(-c4ccccc4)s3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.33
HSD11B1 P28845 3/20 0.37
RARB P10826 7/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARA P10276 1/20 0.33
MAPT P10636 1/20 0.33
MTOR P42345 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
GPR3 P46089 1/20 0.32
KCNH2 Q12809 1/20 0.32

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 SCHEMBL6902844 0.96 HSD11B1 (0.36) HSD11B1RARB
Hydrochloric Acid SCHEMBL6902675 0.92 PTPN1 (0.32) KCNH2
Hydrochloric Acid SCHEMBL6895555 0.90 HSD11B1 (0.35) HSD11B1RARBMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL6903211 0.89 KDM4E (0.32) HSD11B1RARBMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL6903746 0.89 KDM4E (0.32) HSD11B1RARBMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL6902491 0.89 TP53 (0.37) MEN1KMT2A
Hydrochloric Acid SCHEMBL6901064 0.86 HSD11B1 (0.34) HSD11B1ALDH1A1MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL6896959 0.85 NPC1 (0.31) ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL6898606 0.85 NPC1 (0.31) ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL6904131 0.84 HSD17B1 (0.34)

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