Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902678

Cc1ccc(C2C([Hf+2]C3=Cc4c(-c5ccc(C(C)(C)C)cc5)cccc4C3c3ccc(C)s3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)s1.[Cl-].[Cl-]

nearest known ligand 0.30

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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 SCHEMBL6902289 0.84
Hydrochloric Acid SCHEMBL6901963 0.84
Hydrochloric Acid SCHEMBL6902969 0.78 BRD4 (0.33) SMN1; SMN2
Hydrochloric Acid SCHEMBL6904700 0.76 ALDH1A1 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6903374 0.73 KIF11 (0.30)
Hydrochloric Acid SCHEMBL6903331 0.72 KDM4E (0.30) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6901970 0.71 PTAFR (0.31)
Hydrochloric Acid SCHEMBL6904393 0.71 PTAFR (0.31)
Hydrochloric Acid SCHEMBL6902904 0.71 KDM4E (0.33) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL31207547 0.70 NPC1 (0.31) SMN1; SMN2

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