SCHEMBL3430136

SCHEMBL3430136

CC(C)c1nc2c(CCNC(=O)CO)cc(-c3cccc(OC(F)(F)F)c3)cc2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM5A P29375 1/20 0.35
XDH P47989 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
TRPA1 O75762 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ABL1 P00519 1/20 0.34
MMP13 P45452 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL3430772 0.91 KDM4E (0.38) KDM4EHSD17B10TP53MAPTALOX15
SCHEMBL3346362 0.88 DHODH (0.39) DHODHPIM1PIM2XDHKDM4E
SCHEMBL3352922 0.76 GSK3B (0.38) DHODHPIM1PIM2
SCHEMBL3430044 0.74 FFAR1 (0.48) DHODHPIM1PIM2XDH
SCHEMBL3428421 0.73 PPARD (0.39) PIM1PIM2
SCHEMBL3431483 0.72 FFAR1 (0.43) DHODHPIM1PIM2XDHSUCNR1
SCHEMBL3353013 0.71 DHODH (0.45) DHODHPIM1PIM2XDHGRIN1
SCHEMBL3434810 0.70 SCD (0.46) TRPV3TRPA1GRIN1GRIN2BSUCNR1
SCHEMBL3349649 0.70 FFAR1 (0.45) DHODHPIM1PIM2XDHHPGD
SCHEMBL3432976 0.70 GSK3B (0.39) KDM4EHSD17B10MAPTHPGDTRPV1

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