SCHEMBL7703344

SCHEMBL7703344

Nc1ccccc1-c1oc(-c2ccccc2)nc1C(=O)Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
GRM5 P41594 7/20 0.49
ATR Q13535 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7698274 0.85 RAB9A (0.51) CHRNB2CHRNB4CHRNA3CHRNA4GRM5
SCHEMBL7698117 0.76 NPC1 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7700629 0.75 NPC1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7699494 0.74 NPC1 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7705439 0.74 KDM4E (0.50) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL7700032 0.74 NPC1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7704827 0.74 NPC1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7699717 0.74 HPGD (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7699831 0.74 HPSE (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7701371 0.74 GAA (0.48) RAB9ANPC1MEN1KMT2ASMN1; 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