SCHEMBL7699353

SCHEMBL7699353

CN(C)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
GSK3B P49841 3/20 0.48
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.43
LSS P48449 1/20 0.43
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
GSK3A P49840 1/20 0.42
PRKX P51817 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG2 Q13237 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL7700999 0.91 MAPT (0.48) HDAC4GSK3BMAPTPOLBROCK2
SCHEMBL7700043 0.91 TACR1 (0.49) HDAC4DGAT1
SCHEMBL7703284 0.88 EPHX2 (0.46) HDAC4GSK3BMAPTROCK2PRKCG
SCHEMBL7697933 0.85 POLB (0.50) HDAC4MAPTPOLBMAPK1SMN1; SMN2
SCHEMBL7694290 0.84 TACR1 (0.51)
SCHEMBL7699835 0.83 IKBKB (0.42) HDAC4GSK3BHDAC6MAPTDGAT1
SCHEMBL7696355 0.83 MAPT (0.46) HDAC4GSK3BMAPTPOLBMAP4K4
SCHEMBL7695161 0.82 IKBKB (0.50) HDAC4HDAC6MAPTDGAT1KDM1A
SCHEMBL7698726 0.82 LMNA (0.47) GSK3BMAPTPOLBROCK2MAP4K4
SCHEMBL27189073 0.81 DGAT1 (0.49) HDAC4GSK3BHDAC6DGAT1IKBKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed