SCHEMBL6016937

SCHEMBL6016937

COc1c(F)cccc1Nc1nc(NCCCn2ccnc2)nc(NC2CCCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.46
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GAA P10253 2/20 0.39
SCN9A Q15858 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.37
NAMPT P43490 1/20 0.37
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36

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
SCHEMBL4837784 0.83 CYP19A1 (0.49) QPCTTLR9TLR7GAAKDM4E
SCHEMBL6016932 0.77 GALR2 (0.44) QPCTTLR9TLR7GAASCN9A
SCHEMBL13938872 0.73 MAPK14 (0.51) CYP19A1NAMPT
SCHEMBL5549911 0.73 DRD2 (0.43) KDM4EALDH1A1
SCHEMBL5550957 0.68 EHMT2 (0.48) TLR9TLR7GALR2GALR1
SCHEMBL5553546 0.67 CYP19A1 (0.54) QPCTTLR9TLR7GAAKDM4E
SCHEMBL4839305 0.66 CYP19A1 (0.45) QPCTTLR9TLR7GAAKDM4E
SCHEMBL4829576 0.66 TYRO3 (0.50) ALDH1A1GALR2GALR1
SCHEMBL4288284 0.65 SOD1 (0.52) QPCTALDH1A1
SCHEMBL4832691 0.65 GALR1 (0.49) RAB9AGALR2GALR1

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
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed