SCHEMBL7703035

SCHEMBL7703035

CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCCCN2CCN(C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CHRNA7 P36544 2/20 0.43
KCNH2 Q12809 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.42
IKBKB O14920 1/20 0.40
TP53 P04637 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
DRD2 P14416 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
SCHEMBL29158637 0.84 HPGD (0.45) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL7699326 0.84 IKBKB (0.47) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7699962 0.80 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL7701097 0.78 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL7704952 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL7695247 0.77 EPHX2 (0.54) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL7699894 0.76 IKBKB (0.54) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL29158719 0.76 CD274 (0.49) ALDH1A1EPHX2
SCHEMBL7698920 0.76 GFER (0.52) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL7696445 0.76 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GAALMNA

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