SCHEMBL20522195

SCHEMBL20522195

CCCC[Si](OCc1c(Br)c(COC2CCCCO2)nn1C)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 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
SCHEMBL20522143 0.78
SCHEMBL19635178 0.74 MEN1 (0.31) KDM4C
SCHEMBL20521691 0.72 NPC1 (0.32) KDM4C
SCHEMBL31076198 0.70 MEN1 (0.38) ADORA3KDM4C
SCHEMBL21802183 0.69 MEN1 (0.39) ADORA3EP300CREBBP
SCHEMBL1912770 0.67 TSHR (0.43) ADORA3KDM4C
SCHEMBL19635898 0.66 TSHR (0.37) ADORA3EP300CREBBP
SCHEMBL29601953 0.66 TSHR (0.37) ADORA3EP300CREBBP
SCHEMBL19615379 0.65 KDM4C (0.39) ADORA3KDM4C
SCHEMBL19253491 0.65 KDM4C (0.34) KDM4CEP300CREBBP

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-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed