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SCHEMBL935863

SCHEMBL935863

CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])cn(COCC[Si](C)(C)C)c2=O)cc2cc(C(C)(C)O[SiH2]C(C)(C)C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ NR1H3 Q13133 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL935103 0.89 NR1H2 (0.34) NR1H2BRD4CREBBPNR1H3
SCHEMBL12913264 0.87 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL12913227 0.85 NR1H2 (0.37) NR1H2NR1H3CA12CA9
SCHEMBL935830 0.85 NR1H2 (0.46) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL935862 0.84 NR1H2 (0.35) NR1H2NR1H3CA12CA9
SCHEMBL936246 0.83 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL949376 0.82 ALDH1A1 (0.39) NR1H2BRD4CREBBPNR1H3
SCHEMBL935861 0.81 NR1H2 (0.32) NR1H2
SCHEMBL949457 0.78 RPS6KA3 (0.34) NR1H2
SCHEMBL936942 0.78 RPS6KA3 (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-2011010083-A1 INDOLYL-PYRIDONE DERIVATIVES VERNALIS (R & D) LTD (GB) 2011-01-27 — — WO disclosed