SCHEMBL28097353

SCHEMBL28097353

Fc1ccccc1-n1nccc1-c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.48
MAPK14 Q16539 1/20 0.46
HSP90AA1 P07900 1/20 0.45
KIF11 P52732 3/20 0.41
SLC5A1 P13866 2/20 0.41
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
HDAC4 P56524 1/20 0.38
GLO1 Q04760 1/20 0.37
SCN9A Q15858 2/20 0.37
AGXT P21549 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL28003614 0.88 MAPK14 (0.42) NR3C2MAPK14KIF11SLC5A1MAPK8
SCHEMBL28097352 0.87 NR3C2 (0.52) NR3C2MAPK14HSP90AA1MAPK8MAPK9
SCHEMBL15556243 0.83 NR3C2 (0.53) NR3C2MAPK14HSP90AA1MAPK8MAPK9
SCHEMBL17075430 0.80 PIM1 (0.47) NR3C2MAPK14HSP90AA1SMN1; SMN2
SCHEMBL28097405 0.78 MEN1 (0.50) NR3C2MAPK14SLC5A1MAPK8MAPK9
SCHEMBL15559871 0.76 MAPK14 (0.44) NR3C2MAPK14HSP90AA1
SCHEMBL27618711 0.75 NR3C2 (0.55) NR3C2MAPK14HSP90AA1MAPK8MAPK9
SCHEMBL17086640 0.73 SMN1; SMN2 (0.50) NR3C2MAPK14HSP90AA1SMN1; SMN2
SCHEMBL15560513 0.72 KDM5A (0.50) NR3C2MAPK14HSP90AA1
SCHEMBL26821713 0.71 KIF11 (0.73) KIF11GLO1AGXTDHODH

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