SCHEMBL7698091

SCHEMBL7698091

COc1ccccc1CNC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1cccc(N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7700942 0.87 EPHX2 (0.44) KDM4ELMNA
SCHEMBL7698726 0.86 LMNA (0.47) POLBMAPTLMNA
SCHEMBL7700011 0.85 HTT (0.53) HTTTP53POLBGAAKDM4E
SCHEMBL7699627 0.85 IKBKB (0.40) HTTTP53POLBKDM4ENPC1
SCHEMBL7700263 0.84 TP53 (0.47) HTTTP53POLBGAAKDM4E
SCHEMBL7693979 0.83 IKBKB (0.42) TP53POLBKDM4EALDH1A1MAPT
SCHEMBL7695326 0.81 IKBKB (0.40) TP53GAAKDM4ENPC1ALDH1A1
SCHEMBL7700674 0.81 RAB9A (0.42) TP53POLBKDM4EALDH1A1MAPT
SCHEMBL7699232 0.80 ALDH1A1 (0.47) HTTTP53GAAKDM4ENPC1
SCHEMBL7701939 0.80 HSP90AA1 (0.47) HTTTP53GAAKDM4ENPC1

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