SCHEMBL17224293

SCHEMBL17224293

COc1cc(N=Nc2ccc(O)c3ncccc23)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.70
KMT2A Q03164 12/20 0.70
HSP90AA1 P07900 5/20 0.70
NPC1 O15118 5/20 0.70
CASP6 P55212 2/20 0.70
NSD2 O96028 1/20 0.70
MAPT P10636 10/20 0.68
MAPK1 P28482 7/20 0.68
KDM4E B2RXH2 6/20 0.68
RAB9A P51151 5/20 0.68
OPRK1 P41145 2/20 0.68
ATM Q13315 2/20 0.68
HTT P42858 8/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
TDP1 Q9NUW8 8/20 0.67
KCNH2 Q12809 2/20 0.67
MMP14 P50281 1/20 0.67
GLO1 Q04760 6/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
LMNA P02545 3/20 0.62

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
SCHEMBL17224291 1.00 MEN1 (0.70) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL17224403 0.89 MEN1 (0.55) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL17224405 0.89 MEN1 (0.55) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL5851373 0.80 GLO1 (0.88) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL5851384 0.80 GLO1 (0.88) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL4465316 0.77 GLO1 (1.00) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL4465315 0.77 GLO1 (1.00) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL13625080 0.77 COMT (0.58) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL18540745 0.77 MEN1 (0.44) MEN1KMT2AHSP90AA1NPC1CASP6
SCHEMBL4452808 0.77 MEN1 (1.00) MEN1KMT2AHSP90AA1NPC1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 EP disclosed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 US disclosed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 US disclosed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 WO disclosed