Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18036616

CC1=Cc2c(cccc2N2CCCc3ccccc32)C1[Hf+2](C1C(C)=Cc2c1cccc2N1CCCc2ccccc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.37

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
ROCK1 Q13464 1/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
NUDT1 P36639 1/20 0.33
EPAS1 Q99814 1/20 0.33
NOTUM Q6P988 1/20 0.33
EED O75530 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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 SCHEMBL17940839 0.92 L3MBTL1 (0.32) ROCK1JAK2JAK3PTK2L3MBTL1
Hydrochloric Acid SCHEMBL19453222 0.86 ROCK1 (0.30) ROCK1
SCHEMBL17169025 0.80 MEN1 (0.38) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL17171843 0.80 MEN1 (0.40) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL17952987 0.78 JAK2 (0.38) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL19337843 0.78 ROCK1 (0.37) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL17022600 0.78 ROCK1 (0.34) ROCK1JAK2JAK3PTK2NUDT1
Hydrochloric Acid SCHEMBL18036615 0.78 ROCK1 (0.39) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL17022705 0.77 MEN1 (0.34) ROCK1JAK2JAK3PTK2NUDT1
SCHEMBL17022510 0.77 ROCK1 (0.39) ROCK1JAK2JAK3PTK2NUDT1

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-9828450-B2 Propylene-based elastomer LG CHEM, LTD. (KR) 2017-11-28 US disclosed
US-20160251461-A1 PROPYLENE-BASED ELASTOMER LG CHEM, LTD. (KR) 2016-09-01 US disclosed