SCHEMBL7701523

SCHEMBL7701523

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
POLB P06746 1/20 0.40
SLC6A7 Q99884 1/20 0.40
DGAT1 O75907 2/20 0.40
NAMPT P43490 1/20 0.39
IKBKB O14920 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
USP2 O75604 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
SCHEMBL7693997 0.91 ATM (0.47) L3MBTL1MAPTTP53MAPK1SMN1; SMN2
SCHEMBL7699727 0.89 IKBKB (0.42) L3MBTL1MAPTTP53MAPK1NPC1
SCHEMBL7693907 0.87 MEN1 (0.51) L3MBTL1MAPTTP53MAPK1SMN1; SMN2
SCHEMBL7697060 0.87 IKBKB (0.40) L3MBTL1SMN1; SMN2LMNAHTTIKBKB
SCHEMBL7697995 0.86 IKBKB (0.40) NPC1SMN1; SMN2LMNAIKBKBABL1
SCHEMBL7699558 0.86 IKBKB (0.42) L3MBTL1MAPTTP53SMN1; SMN2LMNA
SCHEMBL7696382 0.85 L3MBTL1 (0.58) L3MBTL1MAPTTP53SMN1; SMN2MEN1
SCHEMBL7699252 0.83 IKBKB (0.39) L3MBTL1MAPTTP53SMN1; SMN2IKBKB
SCHEMBL7695157 0.82 IKBKB (0.48) MAPTTP53NPC1KMT2AIKBKB
SCHEMBL7699968 0.82 ATM (0.49) L3MBTL1MAPTTP53MAPK1SMN1; SMN2

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