SCHEMBL22360494

SCHEMBL22360494

N#CC(C#N)=NOCc1nnc(-c2ccc(F)c(F)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 2/20 0.39
NOTUM Q6P988 3/20 0.39
POLB P06746 5/20 0.38
USP2 O75604 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 7/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
QPCT Q16769 1/20 0.34
KDM1A O60341 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL22360418 0.88 L3MBTL1 (0.36) L3MBTL1PKMNOTUMPOLBUSP2
SCHEMBL22360369 0.86 POLB (0.54) L3MBTL1PKMPOLBUSP2TSHR
SCHEMBL22360373 0.84 PTK2 (0.45) L3MBTL1PKMNOTUMPOLBUSP2
SCHEMBL22360375 0.84 MAPT (0.51) L3MBTL1POLBUSP2MAPTKMT2A
SCHEMBL22360371 0.82 NPC1 (0.48) L3MBTL1PKMNOTUMPOLBTSHR
SCHEMBL22360419 0.81 NOTUM (0.38) L3MBTL1PKMNOTUMPOLBUSP2
SCHEMBL22360379 0.81 POLB (0.49) L3MBTL1POLBMAPTKMT2ANPC1
SCHEMBL22360381 0.81 NPC1 (0.40) L3MBTL1PKMNOTUMPOLBUSP2
SCHEMBL22360420 0.81 SMN1; SMN2 (0.55) L3MBTL1NOTUMPOLBTSHRMAPT
SCHEMBL22360484 0.80 L3MBTL1 (0.34) L3MBTL1PKMNOTUMPOLBUSP2

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-2020164403-A1 1,1-DICYANO-OXIME-ETHER COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2020-08-20 WO disclosed