SCHEMBL7698117

SCHEMBL7698117

CC(C)C(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
POLB P06746 1/20 0.56
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TP53 P04637 4/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 3/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
PKM P14618 1/20 0.47
DGAT1 O75907 2/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LMNA P02545 1/20 0.43
UTRN P46939 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7699717 0.87 HPGD (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7700032 0.84 NPC1 (0.55) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7705439 0.84 KDM4E (0.50) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7699494 0.84 NPC1 (0.58) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7699800 0.84 RAB9A (0.67) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7695399 0.83 KDM4E (0.51) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7700629 0.83 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7698274 0.83 RAB9A (0.51) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL7704827 0.82 NPC1 (0.55) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7693959 0.82 MAPT (0.52) NPC1RAB9APOLBALDH1A1SMN1; 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