Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903334

C1=C(c2ccccn2)C([Zr+2]C2C(c3ccccn3)=Cc3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.38

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
CHRM2 known ✓ P08172 1/20 0.32
CHRM1 known ✓ P11229 1/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
TGFBR1 P36897 1/20 0.38
KDR P35968 1/20 0.36
GRM5 P41594 3/20 0.36
LMNA P02545 5/20 0.34
KDM4E B2RXH2 3/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 3/20 0.34

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 SCHEMBL6903579 0.90 SYK (0.40) TGFBR1GRM5LMNAKDM4ECCR1
Hydrochloric Acid SCHEMBL6902696 0.88 PDK2 (0.30)
Hydrochloric Acid SCHEMBL6904281 0.88 NPC1 (0.34) GRM5LMNAKDM4ECYP1A2POLB
Hydrochloric Acid SCHEMBL6904878 0.87 TRPV1 (0.39) KDM4EPOLBHIF1ARAB9ANPC1
Hydrochloric Acid SCHEMBL6903521 0.87 TGFBR1 (0.39) TGFBR1TP53HTTTDP1MAPT
Hydrochloric Acid SCHEMBL6897596 0.85 KDM4E (0.41) LMNAKDM4ECCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6902927 0.85 BRS3 (0.35) CYP1A2RAB9ANPC1
Hydrochloric Acid SCHEMBL6904132 0.84 CYP3A4 (0.39) KDRLMNAKDM4ECCR1CCR5
Hydrochloric Acid SCHEMBL6901138 0.83 KDM4E (0.43) TGFBR1LMNAKDM4ECCR1CCR5
Hydrochloric Acid SCHEMBL6904046 0.83 ALDH1A1 (0.33) TGFBR1LMNACYP1A2SMN1; SMN2L3MBTL1

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