SCHEMBL3346362

SCHEMBL3346362

CC(C)(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 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PIM2 Q9P1W9 1/20 0.36
VNN1 O95497 1/20 0.36
XDH P47989 1/20 0.36
TRPA1 O75762 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABL1 P00519 1/20 0.35
MMP13 P45452 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT2 Q96PD7 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 0.88 DHODH (0.39) DHODHPIM1KDM4EHSD17B10PIM2
SCHEMBL3431483 0.84 FFAR1 (0.43) DHODHPIM1PIM2XDHSUCNR1
SCHEMBL3353013 0.84 DHODH (0.45) DHODHPIM1PIM2XDHGRIN1
SCHEMBL3347753 0.81 DHODH (0.41) DHODHPIM1PIM2XDHTRPA1
SCHEMBL3430772 0.78 KDM4E (0.38) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL3347691 0.77 FFAR4 (0.40) DHODHGRIN1GRIN2B
SCHEMBL3432976 0.75 GSK3B (0.39) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL3430044 0.75 FFAR1 (0.48) DHODHPIM1PIM2XDH
SCHEMBL3430749 0.73 GAA (0.43) DHODHKDM4EHSD17B10GRIN1GRIN2B
SCHEMBL3346086 0.72 PTGER4 (0.44) DHODHKDM4EGRIN1GRIN2B

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