SCHEMBL18032

SCHEMBL18032

N=C(NO)c1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.67
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CTSS P25774 1/20 0.45
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
KDM1A O60341 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL18030 0.77 KMO (0.67) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL18031 0.77 KMO (0.67) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL18344 0.75 KMO (0.67) KMOCDK2ALDH1A1CLK4
SCHEMBL7426082 0.74 MEN1 (0.51) CTSSIDO1KDM4EALDH1A1
SCHEMBL11469890 0.74 KMO (0.62) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL13273287 0.74 KMO (0.62) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL2788482 0.74 CCNT1 (0.63) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL21116043 0.73 CSNK1A1 (0.58) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL11468072 0.73 KMO (0.58) KMOCCNT1CCNA2CDK2CDK9
SCHEMBL17610 0.71 HDAC4 (0.38) KMO

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