SCHEMBL28671503

SCHEMBL28671503

C#CCOc1cc(-c2nc(-c3ccc(C)nc3)no2)ccc1I

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
S1PR1 P21453 8/20 0.44
S1PR3 Q99500 5/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL30688274 1.00 MAPT (0.45) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL28669231 0.89 S1PR1 (0.53) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL28929661 0.89 S1PR1 (0.50) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL30688277 0.89 S1PR1 (0.50) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL30688268 0.89 S1PR1 (0.53) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL28674950 0.87 SMN1; SMN2 (0.58) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL30688270 0.87 ADORA3 (0.49) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL30688269 0.87 MAPT (0.45) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL28663179 0.87 MAPT (0.45) MAPTS1PR1S1PR3NPC1RAB9A
SCHEMBL30688266 0.87 SMN1; SMN2 (0.58) MAPTS1PR1S1PR3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603684-B 1,2, 4-oxadiazole Nrf2 activator-tac Lin Pinge product and preparation method and application thereof 中国药科大学 2023-12-19 CN disclosed
CN-113603684-A 1,2, 4-oxadiazole Nrf2 activator-tacrine split product and preparation method and application thereof 中国药科大学 2021-11-05 CN disclosed