SCHEMBL20159919

SCHEMBL20159919

Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3c(c2)C(=O)NC3=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.47
MAPK14 Q16539 1/20 0.44
TDP2 O95551 1/20 0.41
ATM Q13315 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRM5 P41594 1/20 0.38

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
SCHEMBL20160255 0.88 ATM (0.40) BRD4MAPK14TDP2ATMMAOA
SCHEMBL20160256 0.83 BRD4 (0.38) BRD4MAPK14TDP2ATMMAOA
SCHEMBL20159920 0.80 BRD4 (0.48) BRD4MAPK14ATM
SCHEMBL28475420 0.76 BRD4 (0.47) BRD4MAPK14
SCHEMBL20160288 0.75 BRD4 (0.46) BRD4MAPK14
SCHEMBL15549928 0.75 BRD4 (0.53) BRD4
SCHEMBL16654761 0.74 BRD4 (0.53) BRD4MAPK14
SCHEMBL21904906 0.74 BRD4 (0.66) BRD4MAPK14
SCHEMBL15553259 0.72 BRD4 (0.71) BRD4
SCHEMBL28831087 0.72 BRD4 (0.46) BRD4MAPK14

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-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed