Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8465321

CCC1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Zr+2](C1C(CC)=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc21)=[Sn](C)C.[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 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
JAK2 O60674 2/20 0.32
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
PARP1 P09874 1/20 0.30
JAK3 P52333 1/20 0.30
PTK2 Q05397 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 SCHEMBL8465068 0.91 DRD2 (0.35) DRD2JAK2
Hydrochloric Acid SCHEMBL8462257 0.86 DRD2 (0.35) DRD2JAK2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8457804 0.84 DRD2 (0.34) DRD2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8465872 0.84 DRD2 (0.34) DRD2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8463874 0.84 DRD2 (0.34) DRD2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8461390 0.84 DRD2 (0.34) DRD2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8461606 0.84 DRD2 (0.34) DRD2CYP11B1CYP11B2PARP1
Hydrochloric Acid SCHEMBL8459038 0.83 KIF11 (0.32) DRD2
Hydrochloric Acid SCHEMBL8465442 0.81 KIF11 (0.32) DRD2
Hydrochloric Acid SCHEMBL8461909 0.80 BACE1 (0.32) DRD2

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-5859272-A METALLOCENES; PRODUCES POLYOLEFINS HAVING A HIGH MELTING POINT AND A HIGH MOLECULAR WEIGHT; HIGH POLYMERIZATION ACTIVITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1999-01-12 US disclosed
US-5616663-A TRANSITION METAL COMPOUND, ALUMINOXANE, COMPOUND WHICH REACTS WITH TRANSITION METAL COMPOUND TO FORM ION PAIR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed