SCHEMBL3430772

SCHEMBL3430772

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 6/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
GSK3B P49841 1/20 0.38
TRPV1 Q8NER1 10/20 0.37
PTGES O14684 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL3430136 0.91 DHODH (0.39) KDM4EHSD17B10TP53MAPTALOX15
SCHEMBL3352922 0.85 GSK3B (0.38) GSK3BPTGES
SCHEMBL3352967 0.84 NR1D1 (0.40) KDM4EHSD17B10MAPTGSK3BTRPV1
SCHEMBL3428421 0.82 PPARD (0.39) GSK3BPTGES
SCHEMBL3346362 0.78 DHODH (0.39) KDM4EHSD17B10TRPV1TSHRALDH1A1
SCHEMBL3432976 0.78 GSK3B (0.39) KDM4EHSD17B10MAPTGSK3BTRPV1
SCHEMBL3344258 0.73 KDM4E (0.43) KDM4EHSD17B10MAPTGSK3BTRPV1
SCHEMBL3474513 0.69 SCD (0.44) TRPV1
SCHEMBL3430623 0.69 FFAR1 (0.43) KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3430044 0.64 FFAR1 (0.48)

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 disclosed