SCHEMBL27295186

SCHEMBL27295186

COc1ccc(F)cc1C[n+]1ccn(CC(C)(C)CC(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ NR3C1 P04150 16/20 0.35
▸ NR3C2 P08235 13/20 0.35
▸ PGR P06401 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL27297160 0.88 CA1 (0.38) CA1CA2
SCHEMBL25054906 0.83 CA1 (0.44) CA1CA2MEN1ALDH1A1POLB
SCHEMBL21698068 0.80 CA1 (0.49) CA1CA2MEN1KMT2A
SCHEMBL21698033 0.77 CA1 (0.37) CA1CA2MEN1ALDH1A1POLB
SCHEMBL21698081 0.75 CA1 (0.49) CA1CA2MEN1KMT2A
SCHEMBL21698083 0.74 SLC6A2 (0.36) CA1CA2MEN1ALDH1A1POLB
SCHEMBL21698067 0.73 CA1 (0.37) CA1CA2MEN1ALDH1A1POLB
SCHEMBL27296980 0.72 NR3C1 (0.33) NR3C1NR3C2PGRMEN1ALDH1A1
SCHEMBL27295230 0.72 SLC6A2 (0.34) CA1CA2MEN1ALDH1A1POLB
SCHEMBL27295388 0.72 CA1 (0.46) CA1CA2MEN1KMT2A

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-3608312-B1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF XIAMEN VIVOHEALTHS TECH CO LTD (CN) 2024-06-26 — — EP disclosed
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