SCHEMBL17145402

SCHEMBL17145402

CNC(=O)c1cncc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.55
HPGDS O60760 2/20 0.54
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
RAF1 P04049 5/20 0.46
ALPL P05186 2/20 0.45
CSNK1E P49674 1/20 0.44
NTRK1 P04629 1/20 0.44
ATM Q13315 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL21409312 0.86 ATM (0.45) HPGDSMKNK1MKNK2CSNK1EATM
SCHEMBL23018208 0.84 MKNK1 (0.49) MKNK1MKNK2CSNK1ENTRK1ATM
SCHEMBL18246429 0.84 KDM4E (0.57) MKNK1MKNK2CSNK1EATMTAS2R8
SCHEMBL5909485 0.82 RAF1 (0.53) PLK1HPGDSMKNK1MKNK2RAF1
SCHEMBL1439962 0.81 ATM (0.65) MKNK1MKNK2ALPLATMHPGD
SCHEMBL29224909 0.81 RAF1 (0.46) PLK1HPGDSMKNK1MKNK2RAF1
SCHEMBL12923938 0.81 MKNK1 (0.53) HPGDSMKNK1MKNK2RAF1SMN1; SMN2
SCHEMBL21409268 0.80 ALDH1A1 (0.41) MKNK1MKNK2CSNK1ETSHRSMN1; SMN2
SCHEMBL3209723 0.79 CYP11B1 (0.58) MKNK1MKNK2ATM
SCHEMBL30240892 0.79 HCAR2 (0.57) MKNK1MKNK2HTT

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-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed