SCHEMBL27296702

SCHEMBL27296702

CCc1cc(C[n+]2ccn(CC)c2C)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.54
▸ CA2 P00918 8/20 0.54
▸ EEF2K O00418 2/20 0.40
▸ EEF2 P13639 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ACHE P22303 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
SCHEMBL21698034 0.93 CA1 (0.57) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295388 0.84 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698072 0.83 CA1 (0.57) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698036 0.76 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698081 0.75 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295263 0.75 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295204 0.73 CA1 (0.38) CA1CA2PTGS2
SCHEMBL21698057 0.73 CA1 (0.47) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698061 0.72 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL11258820 0.72 ALDH1A1 (0.53) PTGS2

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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