SCHEMBL10079880

SCHEMBL10079880

CC(C)C(=O)NC(c1cccs1)c1cc(N=O)c2cccnc2c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 13/20 0.72
L3MBTL1 Q9Y468 10/20 0.72
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
LMNA P02545 8/20 0.72
HTT P42858 7/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
MAPT P10636 6/20 0.72
BLM P54132 1/20 0.72
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
KDM4E B2RXH2 11/20 0.60
TDP1 Q9NUW8 8/20 0.60
GAA P10253 1/20 0.60
HSP90AA1 P07900 7/20 0.58
ALDH1A1 P00352 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PSMD14 O00487 2/20 0.57
MMP2 P08253 2/20 0.57
MDM2 Q00987 1/20 0.57

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
SCHEMBL10078791 0.88 ALOX12 (0.76) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL608473 0.86 ALOX12 (0.81) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL1541934 0.84 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL2598269 0.76 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL607837 0.76 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL2598260 0.76 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL29509652 0.76 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL608048 0.75 KDM4E (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL2598274 0.74 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA
SCHEMBL609894 0.74 ALOX12 (1.00) ALOX12L3MBTL1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012653-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO JOSEPH P (US) 2012-01-26 WO disclosed