SCHEMBL7697933

SCHEMBL7697933

CN(C)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 2/20 0.48
FAAH O00519 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HDAC4 P56524 1/20 0.45
AURKA O14965 1/20 0.44
TP53 P04637 2/20 0.44
CRHBP P24387 1/20 0.44
RECQL P46063 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL7699353 0.85 HDAC4 (0.50) POLBMAPTSMN1; SMN2HDAC4MAPK1
SCHEMBL7701529 0.83 POLB (0.52) POLBMAPTKDM4ESMN1; SMN2FAAH
SCHEMBL7700043 0.81 TACR1 (0.49) HDAC4
SCHEMBL7696235 0.81 KMT2A (0.46) POLBMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7703284 0.81 EPHX2 (0.46) MAPTHDAC4
SCHEMBL7699835 0.78 IKBKB (0.42) MAPTKDM4ESMN1; SMN2LMNAHTT
SCHEMBL7697065 0.77 FAAH (0.52) POLBMAPTKDM4ESMN1; SMN2FAAH
SCHEMBL7700999 0.76 MAPT (0.48) POLBMAPTKDM4EHSD17B10LMNA
SCHEMBL7695161 0.75 IKBKB (0.50) MAPTKDM4EHSD17B10ALDH1A1HDAC4
SCHEMBL7694290 0.75 TACR1 (0.51)

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