SCHEMBL28097406

SCHEMBL28097406

Fc1ccc(-c2cccc(-c3ccnn3-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.51
NR3C1 P04150 6/20 0.50
MAPK14 Q16539 3/20 0.49
MAPK9 P45984 2/20 0.49
MAPK10 P53779 2/20 0.49
MAPK8 P45983 1/20 0.49
PGR P06401 3/20 0.46
KDM5A P29375 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
KDM2B Q8NHM5 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NT5E P21589 1/20 0.41

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
SCHEMBL28097404 0.93 NR3C1 (0.50) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL15556452 0.92 KDM5A (0.52) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL28097356 0.90 NR3C2 (0.54) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL15557737 0.89 ALDH1A1 (0.51) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL15556227 0.89 ALDH1A1 (0.51) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL28097403 0.84 NR3C2 (0.51) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL28004022 0.83 MAPK9 (0.54) NR3C2MAPK14MAPK9MAPK10MAPK8
SCHEMBL27742800 0.83 MAPK9 (0.51) NR3C2NR3C1MAPK14MAPK9MAPK10
SCHEMBL15559871 0.82 MAPK14 (0.44) NR3C2NR3C1MAPK14KDM5AKDM4C
SCHEMBL28097416 0.82 KDM5A (0.49) NR3C2NR3C1MAPK14MAPK9MAPK10

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