SCHEMBL27629475

SCHEMBL27629475

CCCCCCN(C)CCCCCCCCCCCCCCON(C=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
FDPS P14324 2/20 0.41
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
HTR7 P34969 2/20 0.37
LSS P48449 1/20 0.37

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
SCHEMBL27338617 0.92 TSHR (0.41) NPC1JAK2RAB9APAX8
SCHEMBL8351572 0.92 TSHR (0.41) NPC1JAK2RAB9APAX8
SCHEMBL6002127 0.92 TSHR (0.41) NPC1JAK2RAB9APAX8
SCHEMBL6003116 0.90 LTA4H (0.41) NPC1JAK2RAB9APAX8
SCHEMBL6002413 0.85 LTA4H (0.41) NPC1JAK2RAB9APAX8BCHE
SCHEMBL21051141 0.77 SMN1; SMN2 (0.37)
SCHEMBL11638360 0.73 NPC1 (0.45) NPC1JAK2RAB9APAX8
SCHEMBL27610392 0.73 KDM4E (0.30) BCHEACHE
SCHEMBL16415141 0.73 NPC1 (0.51) NPC1JAK2RAB9APAX8
SCHEMBL7651322 0.73 NPC1 (0.51) NPC1JAK2RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed