SCHEMBL21698057

SCHEMBL21698057

COc1cc(C[n+]2ccn(CC(C)CC(C)(C)C)c2C)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ EEF2K O00418 2/20 0.33
▸ EEF2 P13639 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HPGD P15428 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 0.79 CA1 (0.57) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698081 0.78 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698072 0.76 CA1 (0.57) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295263 0.76 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698061 0.74 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL27296702 0.73 CA1 (0.54) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295388 0.72 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698036 0.72 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL27294778 0.70 CA1 (0.38) CA1CA2
SCHEMBL27297148 0.63 EEF2K (0.46) CA1CA2EEF2KEEF2MEN1

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-A1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF Xiamen Vivohealths Technology Co., Ltd. (CN) 2020-02-12 — — EP disclosed
Send feedback