SCHEMBL7295341

SCHEMBL7295341

Cc1nc(-c2cccc(OCc3ccccc3)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.59
SPHK1 Q9NYA1 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAOB P27338 3/20 0.49
SLC6A4 P31645 1/20 0.48

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
SCHEMBL7295337 0.85 RAB9A (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3504475 0.85 SMPD1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL1715613 0.83 SPHK2 (0.45) SPHK2SPHK1L3MBTL1MAPK1MEN1
SCHEMBL7294504 0.81 L3MBTL1 (0.62) SPHK2SPHK1L3MBTL1NPC1RAB9A
SCHEMBL3504608 0.81 HDAC1 (0.50) SPHK2SPHK1L3MBTL1NPC1RAB9A
SCHEMBL16067423 0.79 L3MBTL1 (0.72) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12717111 0.78 KDM4E (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5165375 0.77 L3MBTL1 (0.50) SPHK2SPHK1L3MBTL1NPC1RAB9A
SCHEMBL7389079 0.77 TP53 (0.56) SPHK2SPHK1L3MBTL1NPC1RAB9A
SCHEMBL13130238 0.76 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP claimed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed