Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6905728

CC1=CC([Ti+2](=C(C)C)C2C=C(C)c3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.34

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
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
HTR2B P41595 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HNF4A P41235 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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 SCHEMBL6909996 0.86 PDCD1 (0.36) PDCD1CD274EDNRBEDNRALMNA
Hydrochloric Acid SCHEMBL6911172 0.82 PDCD1 (0.33) PDCD1CD274EDNRBEDNRAHTR2B
Hydrochloric Acid SCHEMBL6907105 0.80 POLB (0.33)
Hydrochloric Acid SCHEMBL6908519 0.77 EDNRB (0.35) EDNRBEDNRALMNAL3MBTL1
Hydrochloric Acid SCHEMBL27516469 0.74 PDCD1 (0.35) PDCD1CD274EDNRBEDNRAHTR1A
Hydrochloric Acid SCHEMBL27499114 0.73 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAHTR1A
Hydrochloric Acid SCHEMBL29216496 0.73 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAHTR1A
SCHEMBL6905733 0.70 PDCD1 (0.33) PDCD1CD274EDNRBEDNRAHTR2B
Hydrochloric Acid SCHEMBL5689032 0.70 PDCD1 (0.32) PDCD1CD274EDNRBEDNRACHRNB2
Hydrochloric Acid SCHEMBL6907076 0.70 MYC (0.31)

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed