SCHEMBL3467796

SCHEMBL3467796

CC(=O)OC1Cc2cc(-c3ccc(F)c(F)c3)ccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.41
CREBBP Q92793 2/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
TDP2 O95551 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 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
SCHEMBL3466804 0.87 PGR (0.40) PGRMEN1ALDH1A1KMT2APDE3B
SCHEMBL3467479 0.75 ALDH1A1 (0.38) PGRCREBBPALDH1A1PDE3BPDE3A
SCHEMBL7212449 0.72 ESR2 (0.42) CREBBPMEN1ALDH1A1KMT2ABRD4
SCHEMBL1900635 0.68 PDE3B (0.64) PGRPDE3BPDE3ATDP2CYP11B1
SCHEMBL4596892 0.67 KIF11 (0.42) PGRKMT2APDE3BPDE3ATDP2
SCHEMBL29073339 0.66 BRD4 (0.40) MEN1KMT2ATDP2BRD4
SCHEMBL4596404 0.66 KIF11 (0.44) CYP11B1CYP11B2KIF11
SCHEMBL3467229 0.65 FFAR1 (0.38) PGRTDP2
SCHEMBL3468501 0.65 TDP2 (0.44) PGRCREBBPTDP2BRD4
SCHEMBL3466892 0.65 CYP11B1 (0.42) CYP11B1CYP11B2KIF11

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-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO claimed