SCHEMBL2734236

SCHEMBL2734236

O=C(NO)c1ccc2c(c1)CCNC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54
PLAT P00750 1/20 0.54
KLKB1 P03952 1/20 0.54
PRSS1 P07477 1/20 0.54
ASIC3 Q9UHC3 1/20 0.53
MELK Q14680 2/20 0.50
HDAC6 Q9UBN7 6/20 0.49
HDAC8 Q9BY41 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SLC2A1 P11166 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
SCHEMBL30924723 1.00 F2 (0.54) F2PLGPLAUPLATKLKB1
SCHEMBL29903194 0.94 MELK (0.57) MELKHDAC6SLC2A1
SCHEMBL1029100 0.94 MELK (0.57) MELKHDAC6SLC2A1
SCHEMBL2732154 0.90 MELK (0.58) MELKHDAC6HDAC8SLC2A1
SCHEMBL29903213 0.86 HDAC6 (0.50) HDAC6HDAC8
SCHEMBL2728703 0.86 HDAC6 (0.50) HDAC6HDAC8
SCHEMBL31174276 0.86 F2 (0.53) F2PLGPLAUPLATKLKB1
SCHEMBL31174274 0.86 F2 (0.53) F2PLGPLAUPLATKLKB1
SCHEMBL4544259 0.82 ASIC3 (0.47) F2PLGPLAUPLATKLKB1
SCHEMBL1026101 0.81 ALDH1A1 (0.59) F2PLGPLAUPLATKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2012-05-02 EP disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed