SCHEMBL27610397

SCHEMBL27610397

CNC(=O)OCC(O)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.40
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SOS1 Q07889 1/20 0.34
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
CHRM1 P11229 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL5316860 0.83 ALDH1A1 (0.41) MITFKMT2APKMALDH1A1SOS1
SCHEMBL5540389 0.79 ALDH1A1 (0.38) MITFKMT2APKMALDH1A1SOS1
SCHEMBL28523272 0.78 ALDH1A1 (0.42) MITFKMT2APKMALDH1A1SOS1
SCHEMBL28523274 0.78 ALDH1A1 (0.42) MITFKMT2APKMALDH1A1SOS1
SCHEMBL5539609 0.78 CHRM1 (0.47) MITFKMT2APKMALDH1A1SOS1
SCHEMBL28531344 0.78 CHRM1 (0.47) MITFKMT2APKMALDH1A1SOS1
SCHEMBL4777755 0.77 PKM (0.36) MITFKMT2APKMALDH1A1SOS1
SCHEMBL4777751 0.77 PKM (0.36) MITFKMT2APKMALDH1A1SOS1
SCHEMBL5536301 0.76 MITF (0.40) MITFKMT2APKMALDH1A1SOS1
SCHEMBL5536294 0.76 MITF (0.40) MITFKMT2APKMALDH1A1SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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