SCHEMBL7700263

SCHEMBL7700263

CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2ccccc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.44
HDAC1 Q13547 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL7694358 0.90 RXFP1 (0.41) TP53MAPTHDAC1PDE4BPDE11A
SCHEMBL7699810 0.86 EPHX2 (0.45)
SCHEMBL7698091 0.84 HTT (0.46) TP53HTTMAPTPDE4BPDE11A
SCHEMBL7701315 0.83 MTNR1A (0.45) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL7700063 0.83 KDM4E (0.52) TP53HTTMAPTALDH1A1HPGD
SCHEMBL7693765 0.81 EPHX2 (0.44) TP53HTTMAPTALDH1A1HPGD
SCHEMBL7700011 0.80 HTT (0.53) TP53HTTMAPTALDH1A1HPGD
SCHEMBL7698708 0.78 CNR1 (0.49)
SCHEMBL7695359 0.77 EPHX2 (0.44) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL7699576 0.76 KDM4E (0.48) TP53HTTMAPTALDH1A1KDM4E

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