Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903366

CCCCc1ccc(-c2cccc3c2C=C([Zr+2]C2=Cc4c(-c5ccc(CCCC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1.[Cl-].[Cl-]

nearest known ligand 0.37

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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
BRS3 P32247 2/20 0.36
DHODH Q02127 1/20 0.35
HSD11B1 P28845 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
GPR88 Q9GZN0 6/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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 SCHEMBL6902674 0.96 HTR2A (0.38) HSD11B1KMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6903467 0.94 GPR88 (0.38) GPR88KMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6902388 0.89 NPC1 (0.36) KMT2ANPC1ALDH1A1MAPTRAB9A
SCHEMBL6901173 0.85 BRS3 (0.36) BRS3HSD11B1AGTR1AGTR2GPR88
Hydrochloric Acid SCHEMBL6899139 0.83 SYK (0.40) DHODHKMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6904002 0.83 NPC1 (0.42) KMT2ANPC1ALDH1A1MAPTRAB9A
SCHEMBL6903050 0.82 HTR2A (0.38) HSD11B1KMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6904743 0.81 ALDH1A1 (0.37) KMT2ANPC1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL6904678 0.81 ALDH1A1 (0.33) GPR88KMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6898055 0.81 NPC1 (0.36) DHODHKMT2ANPC1ALDH1A1MAPT

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