SCHEMBL18255

SCHEMBL18255

Cn1nc(-c2ccco2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX15 P16050 2/20 0.58
KDM4E B2RXH2 13/20 0.52
HPGD P15428 9/20 0.52
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
FUBP1 Q96AE4 1/20 0.50
KLK7 P49862 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 5/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HTT P42858 2/20 0.44

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
SCHEMBL22952437 0.86 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL950699 0.82 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL12090641 0.77 PTGS2 (0.51) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL21469231 0.76 PTGS1 (0.67) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL5369670 0.75 ALDH1A1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL3711571 0.74 ALDH1A1 (1.00) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL13098073 0.73 TP53 (0.59) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL25722867 0.73 PTGS1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL768865 0.72 PTGS1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AALOX15
SCHEMBL16815304 0.72 PTGS1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AALOX15

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 2 patents. 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
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed