Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9229869

COc1ccc2c(c1)Cc1c-2ccc(OC)c1C(C1=CC=CC1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.39

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
ACHE known ✓ P22303 5/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA6 P23280 4/20 0.39
ABCB1 P08183 1/20 0.36
PDGFRB P09619 2/20 0.35
MAOB P27338 1/20 0.35
BACE1 P56817 1/20 0.32
METAP1 P53582 1/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL9229937 0.84 CA1 (0.38) CA1CA2CA4CA6ACHE
SCHEMBL27342210 0.82 CA1 (0.39) CA1CA2CA4CA6ACHE
Hydrochloric Acid SCHEMBL9231563 0.81 HSP90AA1 (0.38) CA1CA2CA4CA6ACHE
Hydrochloric Acid SCHEMBL6559566 0.77 TDP2 (0.34) TDP2
Hydrochloric Acid SCHEMBL9231560 0.76 HSP90AA1 (0.38) CA1CA2CA4CA6ACHE
Hydrochloric Acid SCHEMBL9226878 0.76 CA1 (0.36) CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL9068383 0.76
SCHEMBL18315288 0.76 CA1 (0.32) CA1CA2CA4CA6ACHE
SCHEMBL7912055 0.75 ACHE (0.33) ACHEMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL7942440 0.74 TDP2 (0.34) TDP2

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-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP claimed