SCHEMBL7697100

SCHEMBL7697100

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 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
SCHEMBL7699977 0.94 MAPT (0.49) MAPTRXFP1SIRT2SIRT1SIRT3
SCHEMBL7698294 0.90 MEN1 (0.52) MAPTRXFP1SIRT2SIRT1SIRT3
SCHEMBL7695493 0.87 NR1H4 (0.44) MAPTSIRT2SIRT1SIRT3PDK1
SCHEMBL7698238 0.85 ALDH1A1 (0.55) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL7699812 0.82 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7699232 0.80 ALDH1A1 (0.47) MAPTRXFP1SIRT1MEN1KMT2A
SCHEMBL7695519 0.79 MAPT (0.61) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL7695765 0.79 ALDH1A1 (0.50) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL7701056 0.78 MAPT (0.47) MAPTRXFP1SIRT1MEN1KMT2A
SCHEMBL7702798 0.77 MAPT (0.50) MAPTRXFP1TP53ALDH1A1MAPK1

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