SCHEMBL23077281

SCHEMBL23077281

CC1(C)c2cc3c(cc2-c2ccc4ccccc4c21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 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
SCHEMBL23077152 0.96 — —
SCHEMBL23077156 0.95 RARA (0.31) —
SCHEMBL23077278 0.93 PTGER4 (0.31) —
SCHEMBL23077139 0.93 PTGER4 (0.33) —
SCHEMBL23077171 0.90 — —
SCHEMBL23077173 0.90 RAC2 (0.32) RAC2RAC3CDC42RAC1
SCHEMBL23077172 0.90 RARA (0.30) —
SCHEMBL23077188 0.89 KDM4E (0.34) RAC2RAC3CDC42RAC1
SCHEMBL23077239 0.89 RAC2 (0.30) RAC2RAC3CDC42RAC1
SCHEMBL23077261 0.89 ABCB1 (0.31) —

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
WO-2021043755-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — WO disclosed
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