Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904046

CCC(C)c1ccc(-c2cccc3c2C=C(c2ccccn2)C3[Zr+2]C2C(c3ccccn3)=Cc3c(-c4ccc(C(C)CC)cc4)cccc32)cc1.[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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP19A1 P11511 1/20 0.30
TGFBR1 P36897 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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 SCHEMBL6903521 0.89 TGFBR1 (0.39) TGFBR1TDP1
Hydrochloric Acid SCHEMBL6899130 0.87 CYP3A4 (0.30)
Hydrochloric Acid SCHEMBL6904281 0.86 NPC1 (0.34) LMNACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6901735 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2ANR3C1
Hydrochloric Acid SCHEMBL6903579 0.83 SYK (0.40) ALDH1A1LMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6903334 0.83 TGFBR1 (0.38) ALDH1A1LMNACYP1A2TGFBR1NPC1
Hydrochloric Acid SCHEMBL6902927 0.83 BRS3 (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6902696 0.81 PDK2 (0.30)
Hydrochloric Acid SCHEMBL6901151 0.81 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1
Hydrochloric Acid SCHEMBL6904878 0.81 TRPV1 (0.39) ALDH1A1MEN1KMT2ANPC1HPGD

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