SCHEMBL18186

SCHEMBL18186

O=c1[nH]c(-c2nccc(OCC(F)(F)F)n2)no1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
RARB P10826 1/20 0.32
MGAT2 Q10469 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NUDT1 P36639 1/20 0.32
BPGM P07738 1/20 0.32
DGAT1 O75907 1/20 0.32
PLA2G2A P14555 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL18781 0.80 ALDH1A1 (0.38) ALDH1A1PIM1PIM2ALOX5RARB
SCHEMBL2340435 0.74 ALDH1A1 (0.42) ALDH1A1MGAT2PLA2G2A
SCHEMBL603191 0.73 KMO (0.47) ALDH1A1L3MBTL1HDAC1HDAC6HDAC5
SCHEMBL17877 0.69 KMO (0.39) ALDH1A1L3MBTL1ALOX5RARBBPGM
SCHEMBL2337223 0.68 ALDH1A1 (0.40) ALDH1A1HDAC1HDAC8HDAC6HDAC5
SCHEMBL3966140 0.66 NUDT1 (0.43) ALDH1A1PIM1PIM2L3MBTL1SMN1; SMN2
SCHEMBL28259128 0.66 NUDT1 (0.43) ALDH1A1PIM1PIM2L3MBTL1SMN1; SMN2
SCHEMBL2338601 0.66 KMO (0.45) ALDH1A1ALOX5RARB
SCHEMBL18554 0.66 ALDH1A1 (0.36) ALDH1A1ALOX5RARBBPGMPLA2G2A
SCHEMBL2336517 0.66 KMO (0.42) ALDH1A1ALOX5RARBPLA2G2A

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