SCHEMBL28097405

SCHEMBL28097405

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK8 P45983 1/20 0.44
NR3C2 P08235 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
SLC5A1 P13866 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
NT5E P21589 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL17086614 0.88 MEN1 (0.48) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL28097404 0.86 NR3C1 (0.50) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL28097351 0.82 NR3C2 (0.46) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL28097416 0.82 KDM5A (0.49) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL26831184 0.79 KIF11 (0.59) MAPTALDH1A1NPBWR1PTPN5
SCHEMBL15560352 0.78 PIM1 (0.47) MEN1KMT2AMAPK9MAPK10MAPK8
SCHEMBL28097406 0.78 NR3C2 (0.51) MAPK9MAPK10MAPK8NR3C2ALDH1A1
SCHEMBL28097353 0.78 NR3C2 (0.48) MAPK9MAPK10MAPK8NR3C2SLC5A1
SCHEMBL17086629 0.76 MAPT (0.54) MEN1KMT2AMAPK9MAPK10MAPK8

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