Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902904

Cc1ccc(C2C([Zr+2]C3=Cc4c(-c5ccccc5)cccc4C3c3ccc(C)s3)=Cc3c(-c4ccccc4)cccc32)s1.[Cl-].[Cl-]

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A4 P31645 1/20 0.33

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 SCHEMBL6903331 0.91 KDM4E (0.30) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6904966 0.87
Hydrochloric Acid SCHEMBL6900892 0.87
Hydrochloric Acid SCHEMBL6901963 0.87
Hydrochloric Acid SCHEMBL6898012 0.86 S1PR5 (0.32) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6903349 0.85 MEN1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL6902095 0.84 CA12 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6901883 0.84 HSD11B1 (0.34) KDM4E
Hydrochloric Acid SCHEMBL7735589 0.84
Hydrochloric Acid SCHEMBL6895494 0.82 HSD11B1 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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