SCHEMBL28097404

SCHEMBL28097404

Cc1ccc(-n2nccc2-c2cccc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.50
MAPK14 Q16539 3/20 0.47
NR3C2 P08235 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
KDM5A P29375 3/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
PGR P06401 2/20 0.41
SRC P12931 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
SCHEMBL28097406 0.93 NR3C2 (0.51) NR3C1MAPK14NR3C2ALDH1A1MAPK8
SCHEMBL28097403 0.93 NR3C2 (0.51) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL28097416 0.90 KDM5A (0.49) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL28097351 0.88 NR3C2 (0.46) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL17086632 0.87 MEN1 (0.50) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL15556452 0.86 KDM5A (0.52) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL15556227 0.86 ALDH1A1 (0.51) NR3C1MAPK14NR3C2NPC1RAB9A
SCHEMBL15557737 0.86 ALDH1A1 (0.51) NR3C1MAPK14NR3C2NPC1RAB9A
SCHEMBL28097405 0.86 MEN1 (0.50) NR3C1MAPK14NR3C2MEN1KMT2A
SCHEMBL28097356 0.83 NR3C2 (0.54) NR3C1MAPK14NR3C2ALDH1A1MAPK8

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