SCHEMBL17833

SCHEMBL17833

FC(F)(F)c1ccnc(-c2noc(=S)[nH]2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.36
ADRB1 P08588 1/20 0.35
IDH2 P48735 4/20 0.35
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
PIM3 Q86V86 1/20 0.34
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
HDAC4 P56524 3/20 0.32
TAS2R14 Q9NYV8 1/20 0.31

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
SCHEMBL18781 0.82 ALDH1A1 (0.38) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL15102668 0.69 IDH1 (0.36) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL18780 0.69 IDH1 (0.36) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL29763275 0.69 IDH1 (0.36) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL30144828 0.64 IDH1 (0.46) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL2138274 0.64 HDAC4 (0.56) IDH1IDH2HDAC4TAS2R14
SCHEMBL28924087 0.64 IDH1 (0.46) IDH1ADRB1IDH2PIM1PIM2
SCHEMBL22637946 0.64 IDH1 (0.45) IDH1IDH2PIM1PIM2
SCHEMBL22637944 0.64 IDH1 (0.45) IDH1IDH2PIM1PIM2
SCHEMBL18186 0.63 ALDH1A1 (0.39) PIM1PIM2

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-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed