SCHEMBL19818293

SCHEMBL19818293

CC(F)Oc1ccccc1[C@H]1CCN2C(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.45
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
WDR5 P61964 3/20 0.35
INPPL1 O15357 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
AOC3 Q16853 4/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
SYK P43405 1/20 0.33
PIK3CG P48736 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33

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
SCHEMBL19818294 1.00 TNF (0.45) TNFALOX5APFEN1WDR5INPPL1
SCHEMBL19818295 1.00 TNF (0.45) TNFALOX5APFEN1WDR5INPPL1
SCHEMBL29794987 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL29794966 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL29794937 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL18157271 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL18145753 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL18145676 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL18145674 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3
SCHEMBL18145763 0.94 TNF (0.50) TNFALOX5APFEN1WDR5AOC3

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
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US disclosed