SCHEMBL7701025

SCHEMBL7701025

CN(C)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
DGAT1 O75907 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.41
NR1H3 Q13133 2/20 0.40
NR1H2 P55055 1/20 0.40
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTPN1 P18031 1/20 0.37
SCN9A Q15858 2/20 0.37
KMT2A Q03164 1/20 0.37
POLQ O75417 1/20 0.37

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
SCHEMBL7703305 0.91 GPBAR1 (0.53) IKBKBDGAT1GPBAR1MAPTKDM4E
SCHEMBL7696153 0.90 ALDH1A1 (0.47) IKBKBDGAT1HDAC4HDAC8HDAC6
SCHEMBL7695161 0.89 IKBKB (0.50) IKBKBDGAT1HDAC4HDAC8HDAC6
SCHEMBL7701500 0.84 GPBAR1 (0.47) IKBKBDGAT1GPBAR1MAPTRXFP1
SCHEMBL7698850 0.81 GPBAR1 (0.39) DGAT1HDAC4HDAC8HDAC6GPBAR1
SCHEMBL7693804 0.81 IKBKB (0.45) IKBKBDGAT1HDAC4HDAC8HDAC6
SCHEMBL7699353 0.81 HDAC4 (0.50) IKBKBDGAT1HDAC4HDAC6KDM1A
SCHEMBL7703225 0.81 IKBKB (0.46) IKBKBGPBAR1MAPTRXFP1KDM4E
SCHEMBL7699801 0.80 ALDH1A1 (0.51) IKBKBMAPTRXFP1KDM4EALDH1A1
SCHEMBL7693955 0.79 KDM4E (0.52) IKBKBMAPTKDM4EALDH1A1HPGD

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