SCHEMBL22360418

SCHEMBL22360418

N#CC(C#N)=NOCc1nnc(-c2cc(F)c(F)c(F)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
PKM P14618 2/20 0.36
POLB P06746 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
NOTUM Q6P988 3/20 0.33
MAPT P10636 9/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22360494 0.88 L3MBTL1 (0.39) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360419 0.83 NOTUM (0.38) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360369 0.83 POLB (0.54) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360416 0.82 NOTUM (0.37) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360373 0.81 PTK2 (0.45) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360420 0.80 SMN1; SMN2 (0.55) L3MBTL1POLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL22360484 0.80 L3MBTL1 (0.34) L3MBTL1PKMPOLBSMN1; SMN2NPC1
SCHEMBL22360372 0.79 ANO1 (0.47) L3MBTL1PKMSMN1; SMN2NPC1ALDH1A1
SCHEMBL22360379 0.78 POLB (0.49) L3MBTL1POLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL22360381 0.78 NPC1 (0.40) L3MBTL1PKMPOLBSMN1; SMN2NPC1

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