Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902388

CCc1ccc(-c2cccc3c2C=C([Zr+2]C2=Cc4c(-c5ccc(CC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1.[Cl-].[Cl-]

nearest known ligand 0.36

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
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TLR7 Q9NYK1 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SYK P43405 1/20 0.30
F2 P00734 1/20 0.30
F12 P00748 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 SCHEMBL6903467 0.91 GPR88 (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6903366 0.89 BRS3 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6902674 0.87 HTR2A (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6899139 0.87 SYK (0.40) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6904002 0.87 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6904743 0.85 ALDH1A1 (0.37) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6904678 0.85 ALDH1A1 (0.33) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6898055 0.84 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6904019 0.84 ALDH1A1 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL6900259 0.84 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A

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