Hydrochloric Acid

Hydrochloric Acid

SCHEMBL535776

CC1=C(C)C([Cr+2])([Si](C)(C)C)C(c2cccc3cccnc23)=C1C.[Cl-].[Cl-]

nearest known ligand 0.41

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
CHRM1 known ✓ P11229 1/20 0.36
CCR1 P32246 4/20 0.41
CCR8 P51685 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
CCR5 P51681 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41

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 SCHEMBL1072939 0.83 KDM4E (0.43) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL6131348 0.82 CCR1 (0.42) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL7194074 0.78 CCR1 (0.44) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL6292389 0.77 CCR1 (0.43) CCR1CCR8KDM4EMAPTCCR5
Hydrochloric Acid SCHEMBL3081477 0.76 CCR1 (0.39) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL6055554 0.74 CCR1 (0.40) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL5270900 0.71 CCR1 (0.40) CCR1CCR8KDM4EMAPTCCR5
Hydrochloric Acid SCHEMBL1072937 0.70 MAPT (0.44) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL1282008 0.69 CCR1 (0.75) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL30184687 0.69 CCR1 (0.75) CCR1CCR8KDM4EMAPTCCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414405-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS Basell Polyolefine GmbH (DE) 2012-02-08 EP disclosed
US-20120010377-A1 Catalyst System for the Polymerization of Alpha-Olefins BASELL POLYOLEFINE GMBH (DE) 2012-01-12 US disclosed
WO-2010112165-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS BASELL POLYOLEFINE GMBH (DE) 2010-10-07 WO disclosed