Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6900436

Cc1ccc(C2=Cc3c(ccc4ccccc34)C2[Hf+2]C2C(c3ccc(C)o3)=Cc3c2ccc2ccccc32)o1.[Cl-].[Cl-]

nearest known ligand 0.32

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 16)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
KDM4E B2RXH2 2/20 0.32
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP2A6 P11509 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A4 P31645 1/20 0.30

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 SCHEMBL6898034 0.85 CYP1A1 (0.37) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6898185 0.84 CHRM2 (0.34) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6898454 0.82 KDM4E (0.33) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL7119526 0.81 KDM4E (0.34) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7731502 0.79 ALDH1A1 (0.39) KDM4EALDH1A1NPC1LMNAMAPT
Hydrochloric Acid SCHEMBL7793942 0.76 ALDH1A1 (0.38) KDM4EALDH1A1CYP2A6MAPTPKM
Hydrochloric Acid SCHEMBL6897745 0.74 KDM4E (0.32) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6902679 0.74 MEN1 (0.36) KDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6898959 0.72 CCR1 (0.36) KDM4ECYP2A6
Hydrochloric Acid SCHEMBL6895316 0.72 KDM4E (0.39) KDM4ECHRM2CHRM4CHRM5CHRM1

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 4 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
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 disclosed
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
EP-1033371-A1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins TARGOR GmbH (DE) 2000-09-06 EP disclosed