SCHEMBL19196

SCHEMBL19196

Cn1nc(C(N)=NO)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CFTR P13569 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL17940 0.79 PKM (0.49) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL27787731 0.75 PKM (0.51) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL16690902 0.74 PKM (0.50) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL18510 0.74 PKM (0.54) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL31459509 0.73 BAZ2B (0.30)
SCHEMBL24571057 0.72 PKM (0.49) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL28057286 0.72 PKM (0.49) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL12474102 0.71 KDM4E (0.41) NPC1ALDH1A1NPSR1RAB9AKMT2A
SCHEMBL19195 0.70 PKM (0.40) PKMNPC1ALDH1A1NPSR1RAB9A
SCHEMBL18120300 0.70 PKM (0.47) PKMNPC1ALDH1A1NPSR1RAB9A

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