SCHEMBL7704952

SCHEMBL7704952

COc1ccc(CCNC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.44
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
STAT3 P40763 1/20 0.42
ESRRG P62508 2/20 0.42
ESRRB O95718 1/20 0.42
FPR2 P25090 4/20 0.42
CNR1 P21554 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ADRB2 P07550 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
SCHEMBL7695082 0.88 MAPT (0.50) GAAMEN1KMT2AMAPTSTAT3
SCHEMBL7701183 0.87 SMN1; SMN2 (0.45) SMN1; SMN2GAAEPHX2NR1H4MEN1
SCHEMBL7701315 0.85 MTNR1A (0.45) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL7699326 0.84 IKBKB (0.47) SMN1; SMN2GAAEPHX2NR1H4MEN1
SCHEMBL7699146 0.80 MAPT (0.57) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL7693765 0.80 EPHX2 (0.44) SMN1; SMN2GAAEPHX2NR1H4MEN1
SCHEMBL7701807 0.80 IKBKB (0.43) GAAMEN1KMT2AMAPTNPC1
SCHEMBL7695247 0.79 EPHX2 (0.54) SMN1; SMN2GAAEPHX2NR1H4MEN1
SCHEMBL7701097 0.79 KDM4E (0.47) SMN1; SMN2GAAEPHX2NR1H4MAPT
SCHEMBL7704697 0.78 ADCY8 (0.45) GAAMEN1KMT2AMAPTSTAT3

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