SCHEMBL7701437

SCHEMBL7701437

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.44
TMPRSS4 Q9NRS4 2/20 0.44
RUVBL1 Q9Y265 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDK1 Q15118 1/20 0.42
ADCY8 P40145 1/20 0.41
ADCY1 Q08828 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
P2RX1 P51575 1/20 0.39
NR2E1 Q9Y466 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7698685 0.93 DGAT1 (0.50) DGAT1TMPRSS4RUVBL1HSP90AA1HSP90AB1
SCHEMBL7695533 0.88 ADCY8 (0.47) DGAT1TMPRSS4RUVBL1HSP90AA1HSP90AB1
SCHEMBL7701479 0.85 HSP90AA1 (0.54) DGAT1HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL7699293 0.82 KDM4E (0.53) DGAT1TMPRSS4RUVBL1ADCY8ADCY1
SCHEMBL7699604 0.82 MAPT (0.47) DGAT1HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL7695132 0.81 MAPT (0.49) DGAT1HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL7699719 0.80 MAPT (0.46) MAPTKDM4EHTT
SCHEMBL7701239 0.80 MAPT (0.60) HSP90AA1HSP90AB1PDK1MAPTKDM4E
SCHEMBL7694290 0.80 TACR1 (0.51)
SCHEMBL7695765 0.79 ALDH1A1 (0.50) THRBMAPTKDM4EPOLBHTT

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