SCHEMBL47294

SCHEMBL47294

NCNC(=O)C1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
PKM P14618 2/20 0.50
ALPG P10696 1/20 0.49
HPGD P15428 6/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 1/20 0.46
NOS2 P35228 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GLS O94925 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL27806423 0.82 POLB (0.52) POLBPKMALPGHPGDALDH1A1
SCHEMBL3270695 0.81 TSHR (0.51) POLBPKMALPGHPGDALDH1A1
SCHEMBL21941834 0.81 TSHR (0.51) POLBPKMALPGHPGDALDH1A1
SCHEMBL22170895 0.80 POLB (0.50) POLBPKMALPGHPGDALDH1A1
SCHEMBL209681 0.79 POLB (0.49) POLBPKMALPGHPGDALDH1A1
SCHEMBL24177181 0.78 POLB (0.55) POLBPKMALPGHPGDALDH1A1
SCHEMBL1472587 0.78 POLB (0.55) POLBPKMALPGHPGDALDH1A1
SCHEMBL5963073 0.78 POLB (0.48) POLBPKMALPGHPGDALDH1A1
SCHEMBL6360835 0.78 POLB (0.55) POLBPKMALPGHPGDALDH1A1
SCHEMBL9484968 0.78 HPGD (0.49) POLBPKMALPGHPGDALDH1A1

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-2582696-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2014-10-22 EP disclosed
WO-2012120135-A1 ISOXAZOLE DERIVATIVES NOVARTIS AG (CH) 2012-09-13 WO disclosed
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed