SCHEMBL20095706

SCHEMBL20095706

COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(F)c(N)cc2F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
HDAC8 Q9BY41 1/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C19 P33261 3/20 0.33
ERBB2 P04626 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK1 P51617 1/20 0.33
RPS6KA3 P51812 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
SCHEMBL14934588 0.92 POLB (0.41) POLBTP53HDAC8GAAMAPK1
SCHEMBL29481979 0.92 POLB (0.41) POLBTP53HDAC8GAAMAPK1
SCHEMBL20095675 0.92 POLB (0.37) POLBTP53HDAC8GAALMNA
SCHEMBL21312177 0.92 POLB (0.39) POLBTP53HDAC8GAAMAPK1
SCHEMBL20095731 0.92 POLB (0.37) POLBTP53HDAC8GAAMAPK1
SCHEMBL20073167 0.90 POLB (0.38) POLBTP53HDAC8GAAMAPK1
SCHEMBL21904599 0.90 GAA (0.36) POLBTP53GAAMEN1KMT2A
SCHEMBL20072994 0.88 HRH4 (0.37) POLBTP53GAAMEN1KMT2A
SCHEMBL15465002 0.88 POLB (0.39) POLBTP53GAAMAPK1LMNA
SCHEMBL30201222 0.88 POLB (0.39) POLBTP53GAAMAPK1LMNA

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed