Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3277978

Cc1ccc2c(c1)C([Zr+2](C1=CC(C(C)(C)C)=CC1C(C)C)=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1cc(C)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.32

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 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 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 SCHEMBL3278391 0.92 ACHE (0.32) NPSR1
Hydrochloric Acid SCHEMBL3284261 0.90 CYP1A1 (0.31)
Hydrochloric Acid SCHEMBL3276978 0.90 NPSR1 (0.33) MEN1KMT2ANPSR1TP53GAA
Hydrochloric Acid SCHEMBL3277752 0.89
Hydrochloric Acid SCHEMBL3284366 0.89 ALDH1A1 (0.32) NPSR1
Hydrochloric Acid SCHEMBL3283507 0.88
Hydrochloric Acid SCHEMBL3274639 0.87 CYP2B6 (0.30)
Hydrochloric Acid SCHEMBL3279027 0.87 ACHE (0.33) MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3268778 0.86
Hydrochloric Acid SCHEMBL1235969 0.86 MEN1 (0.32) MEN1HTTRAB9AKMT2AKCNK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803742-B1 PROCESS FOR PRODUCING PROPYLENE POLYMER MITSUI CHEMICALS INC (JP) 2010-06-23 EP disclosed