SCHEMBL22360407

SCHEMBL22360407

N#CC(C#N)=NOCc1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39

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
SCHEMBL22360386 0.86 CASP3 (0.53) MAPTLMNAMAPK1NPC1RAB9A
SCHEMBL22360411 0.81 TSHR (0.39) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL22360408 0.81 NPC1 (0.46) MAPTMAPK1L3MBTL1NPC1RAB9A
SCHEMBL22360412 0.81 MAPT (0.42) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL22360488 0.79 SMN1; SMN2 (0.50) MAPTMAPK1L3MBTL1NPC1RAB9A
SCHEMBL22360385 0.77 SMN1; SMN2 (0.45) MAPTMAPK1L3MBTL1NPC1RAB9A
SCHEMBL22360377 0.76 RAB9A (0.55) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL22360413 0.75 HDAC1 (0.43) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL22360409 0.74 TDP1 (0.51) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL28869653 0.73 LMNA (0.51) MAPTLMNAMAPK1L3MBTL1NPC1

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