SCHEMBL22360406

SCHEMBL22360406

COc1ccc(-c2noc(CON=C(C#N)C#N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
MAPT P10636 8/20 0.51
TSHR P16473 4/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NAAA Q02083 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL22360409 0.88 TDP1 (0.51) LMNAATMMAPTTSHRL3MBTL1
SCHEMBL22360410 0.85 MAPT (0.46) MAPTTSHRL3MBTL1NPC1RAB9A
SCHEMBL22360377 0.85 RAB9A (0.55) LMNAMAPTTSHRL3MBTL1NPC1
SCHEMBL22360404 0.85 TP53 (0.50) LMNAMAPTTSHRL3MBTL1NPC1
SCHEMBL22360412 0.80 MAPT (0.42) LMNASIRT2MAPTTSHRNPY1R
SCHEMBL22360413 0.79 HDAC1 (0.43) LMNASIRT2MAPTTSHRNPY1R
SCHEMBL22360403 0.79 SMN1; SMN2 (0.55) LMNAMAPTTSHRL3MBTL1NPC1
SCHEMBL22360411 0.78 TSHR (0.39) LMNASIRT2MAPTTSHRNPY1R
SCHEMBL22360408 0.76 NPC1 (0.46) ATMMAPTTSHRL3MBTL1NPC1
SCHEMBL8900040 0.75 LMNA (0.66) LMNAATMSIRT2MAPTTSHR

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