SCHEMBL3352967

SCHEMBL3352967

CC(C)c1nc2c(CCNS(C)(=O)=O)cc(-c3ccc(OC(F)(F)F)cc3)cc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KIF11 P52732 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 2/20 0.35
ABL1 P00519 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM5A P29375 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL3344258 0.88 KDM4E (0.43) NR1D1KDM4EHSD17B10MAPTHPGD
SCHEMBL3430772 0.84 KDM4E (0.38) KDM4EHSD17B10MAPTHPGDTRPV1
SCHEMBL3352922 0.83 GSK3B (0.38) PIM1PIM2GSK3BPTGES
SCHEMBL3428421 0.80 PPARD (0.39) PIM1PIM2GSK3BPTGES
SCHEMBL3430136 0.76 DHODH (0.39) KDM4EHSD17B10MAPTHPGDTRPV1
SCHEMBL3432976 0.69 GSK3B (0.39) KDM4EHSD17B10MAPTHPGDTRPV1
SCHEMBL3476248 0.68 NR1D1 (0.41) NR1D1KIF11TRPV1KDM5A
SCHEMBL3430623 0.66 FFAR1 (0.43) KDM4EHSD17B10HPGD
SCHEMBL3476576 0.64 TRPV1 (0.50) KIF11TRPV1PIM1PIM2GSK3B
SCHEMBL3346362 0.63 DHODH (0.39) KDM4EHSD17B10TRPV1TSHRABL1

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-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed