SCHEMBL28097352

SCHEMBL28097352

Fc1ccc(-c2cccc(-c3ccnn3-c3ccccc3F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.52
MAPK14 Q16539 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KDM5A P29375 3/20 0.41
KDM4C Q9H3R0 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM2B Q8NHM5 1/20 0.40
NR3C1 P04150 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
SCN9A Q15858 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
SCHEMBL15556243 0.90 NR3C2 (0.53) NR3C2MAPK14HSP90AA1KDM5AKDM4C
SCHEMBL15559871 0.89 MAPK14 (0.44) NR3C2MAPK14HSP90AA1KDM5AKDM4C
SCHEMBL28097353 0.87 NR3C2 (0.48) NR3C2MAPK14HSP90AA1SMN1; SMN2MAPK8
SCHEMBL28097406 0.82 NR3C2 (0.51) NR3C2MAPK14KDM5AKDM4CKDM5B
SCHEMBL15560513 0.82 KDM5A (0.50) NR3C2MAPK14HSP90AA1KDM5AKDM4C
SCHEMBL28003614 0.80 MAPK14 (0.42) NR3C2MAPK14KDM5AKDM4CKDM5B
SCHEMBL15556530 0.80 KDM4C (0.51) KDM5AKDM4CKDM5BKDM2BNR3C1
SCHEMBL28097356 0.79 NR3C2 (0.54) NR3C2MAPK14KDM5AKDM4CKDM5B
SCHEMBL15557539 0.78 MAPK14 (0.48) NR3C2MAPK14HSP90AA1SMN1; SMN2
SCHEMBL28097404 0.77 NR3C1 (0.50) NR3C2MAPK14KDM5AKDM4CKDM5B

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