SCHEMBL7701183

SCHEMBL7701183

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 2/20 0.45
ESRRG P62508 4/20 0.43
ESRRB O95718 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PTGDR Q13258 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7704952 0.87 SMN1; SMN2 (0.44) SMN1; SMN2GAAESRRGESRRBMEN1
SCHEMBL7700674 0.83 RAB9A (0.42) RAB9AMAPTALDH1A1KDM4ETP53
SCHEMBL7695335 0.79 SMN1; SMN2 (0.43) SMN1; SMN2EPHX2MAPTALDH1A1LMNA
SCHEMBL7699627 0.77 IKBKB (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7699962 0.76 ALDH1A1 (0.48) SMN1; SMN2GAAL3MBTL1MAPTALDH1A1
SCHEMBL7695145 0.76 IKBKB (0.45) NR1H4MAPTALDH1A1LMNAHPGD
SCHEMBL30106351 0.76 TRPV1 (0.49) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL7701939 0.75 HSP90AA1 (0.47) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL7693990 0.75 IKBKB (0.53) MEN1KMT2ANPC1RAB9ANR1H4
SCHEMBL7693979 0.75 IKBKB (0.42) MEN1KMT2AMAPTALDH1A1HPGD

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