SCHEMBL7698685

SCHEMBL7698685

COc1cc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccc(N(C)C)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.50
RUVBL1 Q9Y265 1/20 0.46
ADCY8 P40145 1/20 0.45
ADCY1 Q08828 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDK1 Q15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL7695533 0.95 ADCY8 (0.47) DGAT1RUVBL1ADCY8ADCY1TMPRSS4
SCHEMBL7701437 0.93 DGAT1 (0.44) DGAT1RUVBL1ADCY8ADCY1TMPRSS4
SCHEMBL7699293 0.89 KDM4E (0.53) DGAT1RUVBL1ADCY8ADCY1TMPRSS4
SCHEMBL7696428 0.84 STAT3 (0.55) DGAT1MAPTKDM4EHSP90AA1HSP90AB1
SCHEMBL7704697 0.81 ADCY8 (0.45) DGAT1RUVBL1ADCY8ADCY1TMPRSS4
SCHEMBL7693922 0.80 KDM4E (0.60) DGAT1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7700043 0.79 TACR1 (0.49) DGAT1
SCHEMBL7697491 0.78 HDAC4 (0.49) DGAT1MAPT
SCHEMBL7701281 0.78 MAPT (0.49) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL7698238 0.78 ALDH1A1 (0.55) DGAT1MAPTKDM4EALDH1A1MEN1

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