SCHEMBL28097351

SCHEMBL28097351

Cc1ccc(-n2nccc2-c2cccc(-c3ccc(F)c(F)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.46
KDM5A P29375 3/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM5B Q9UGL1 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK14 Q16539 4/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NT5E P21589 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4A O75164 1/20 0.38

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
SCHEMBL28097403 0.89 NR3C2 (0.51) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL28097404 0.88 NR3C1 (0.50) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL28097416 0.86 KDM5A (0.49) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL28097405 0.82 MEN1 (0.50) NR3C2ALDH1A1MAPTATMMAPK9
SCHEMBL28097406 0.80 NR3C2 (0.51) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL15557300 0.79 MEN1 (0.43) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL17086629 0.78 MAPT (0.54) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL17086632 0.77 MEN1 (0.50) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL12759885 0.77 MDM2 (0.52) NR3C2KDM5AKDM4CKDM5BALDH1A1
SCHEMBL15556452 0.76 KDM5A (0.52) NR3C2KDM5AKDM4CKDM5BALDH1A1

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
CN-104487438-B Benzisoxazole modulators of neurogenesis 霍夫曼-拉罗奇有限公司 2016-10-19 CN claimed
CN-104487438-B Benzisoxazole modulators of neurogenesis 霍夫曼-拉罗奇有限公司 2016-10-19 CN disclosed