SCHEMBL2492861

SCHEMBL2492861

O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 1.00
KMT2A Q03164 13/20 1.00
MAPT P10636 8/20 1.00
NPC1 O15118 8/20 1.00
KDM4E B2RXH2 7/20 1.00
L3MBTL1 Q9Y468 6/20 1.00
HTT P42858 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 4/20 1.00
LMNA P02545 3/20 1.00
AGTR1 P30556 1/20 1.00
MCL1 Q07820 1/20 1.00
GAA P10253 7/20 0.64
TP53 P04637 1/20 0.64
HSP90AA1 P07900 1/20 0.64
ADAM17 P78536 1/20 0.64
RAB9A P51151 5/20 0.61
XBP1 P17861 1/20 0.61
CCR6 P51684 2/20 0.59

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
SCHEMBL2492862 1.00 MEN1 (1.00) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL11261524 0.80 MEN1 (0.67) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL11261515 0.80 MEN1 (0.67) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL11264500 0.79 NPC1 (0.65) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL11264496 0.79 NPC1 (0.65) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL1164785 0.79 MEN1 (0.68) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL1164784 0.79 MEN1 (0.68) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL2491876 0.77 KMT2A (0.68) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL2491877 0.77 KMT2A (0.68) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL15457450 0.73 MEN1 (0.77) MEN1KMT2AMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed