SCHEMBL3406360

SCHEMBL3406360

COc1nccc(C)n1.COc1nccc(C=NO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 1/20 0.41
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1153566 0.92 KDM4E (0.46) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL1153563 0.92 KDM4E (0.46) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL3404211 0.80 L3MBTL1 (0.38) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL1153496 0.80
SCHEMBL30125106 0.80
SCHEMBL2752613 0.73 GRM4 (0.49) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL2752612 0.73 GRM4 (0.49) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL4976296 0.70 ALDH1A1 (0.39) KDM4ENPSR1MAPK1RAB9AKMT2A
SCHEMBL28313608 0.69 KDM4E (0.58) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1
SCHEMBL28836041 0.69 L3MBTL1 (0.55) KDM4EL3MBTL1ALOX15HSP90AA1NPSR1

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-2252606-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-11-24 EP disclosed
WO-2009101078-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 WO disclosed