SCHEMBL27629328

SCHEMBL27629328

[CH2]c1nnnn1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 7/20 0.38
TSHR P16473 2/20 0.38
MGLL Q99685 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SLC5A1 P13866 1/20 0.32

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
SCHEMBL28015101 0.86 KCNN4 (0.39) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL5546019 0.79 KCNN4 (0.49) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL27610718 0.78 KCNN4 (0.54) KCNN4
SCHEMBL27610654 0.78 KCNN4 (0.51) KCNN4ALDH1A1TSHR
SCHEMBL6321042 0.78 KCNN4 (0.44) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL28456095 0.78 KCNN4 (0.44) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL5547707 0.77 KCNN4 (0.41) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL27610720 0.72 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL28188341 0.71 KCNN4 (0.40) KCNN4NPC1RAB9AALDH1A1TSHR
SCHEMBL27610282 0.69 ALDH1A1 (0.46) NPC1RAB9AALDH1A1TSHRLMNA

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