SCHEMBL7696445

SCHEMBL7696445

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCCCN2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMYD2 Q9NRG4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AVPR1B P47901 1/20 0.39
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TLR8 Q9NR97 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL7702181 0.95 MEN1 (0.44) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL7700006 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL7693979 0.85 IKBKB (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL7699962 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL7699627 0.84 IKBKB (0.40) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL7699727 0.81 IKBKB (0.42) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL7695326 0.81 IKBKB (0.40) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL7693910 0.81 NPC1 (0.45) HTTSMN1; SMN2KDM4EHSD17B10GFER
SCHEMBL7698726 0.81 LMNA (0.47) LMNAMAPTMAPK1POLB
SCHEMBL7701455 0.80 NAMPT (0.42)

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