SCHEMBL5698593

SCHEMBL5698593

Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
PTGS2 P35354 6/20 0.64
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PTGS1 P23219 2/20 0.49
MAPK1 P28482 2/20 0.49
PKM P14618 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL10339343 0.94 KMT2A (0.89) KMT2APTGS2MAPK13MAPK12MAPK11
SCHEMBL11752008 0.84 KMT2A (0.72) KMT2APTGS2MEN1MAPTALDH1A1
SCHEMBL14670971 0.84 KMT2A (0.72) KMT2APTGS2MEN1MAPTALDH1A1
SCHEMBL11749411 0.84 KMT2A (0.72) KMT2APTGS2MEN1MAPTALDH1A1
SCHEMBL7799104 0.84 KMT2A (0.72) KMT2APTGS2PTGS1
SCHEMBL11753888 0.83 KMT2A (0.71) KMT2APTGS2MEN1MAPTALDH1A1
SCHEMBL11752848 0.83 KMT2A (0.71) KMT2APTGS2MEN1MAPTALDH1A1
SCHEMBL2091239 0.83 MAPK13 (0.83) KMT2APTGS2MAPK13MAPK12MAPK11
SCHEMBL4311399 0.78 KMT2A (0.63) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11752556 0.77 KMT2A (0.62) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-117510430-B Oxazole compound and synthetic method and application thereof 南昌大学 2024-10-25 CN disclosed
CN-117510430-A Oxazole compound and synthetic method and application thereof 南昌大学 2024-02-06 CN disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed