SCHEMBL17224322

SCHEMBL17224322

COc1cc(N=Nc2ccc(OC)c3ccccc23)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
KLF5 Q13887 1/20 0.41
PTK2B Q14289 1/20 0.41
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
NQO1 P15559 1/20 0.41
MAPK1 P28482 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL18528452 1.00 IDO1 (0.42) IDO1MEN1KMT2AGAAMAPT
SCHEMBL3285471 0.83 MEN1 (0.56) IDO1MEN1KMT2AGAAMAPT
SCHEMBL3285474 0.83 MEN1 (0.56) IDO1MEN1KMT2AGAAMAPT
SCHEMBL17224403 0.80 MEN1 (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL17224405 0.80 MEN1 (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL7155324 0.79 MEN1 (0.48) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL25807357 0.78 MEN1 (0.47) IDO1MEN1KMT2AGAAMAPT
SCHEMBL17224303 0.76 CYP1A1 (0.43) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL17224301 0.76 CYP1A1 (0.43) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL17224293 0.74 MEN1 (0.70) MEN1KMT2AGAAMAPTALDH1A1

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 6 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 claimed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 US claimed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 WO claimed
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
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 WO disclosed