SCHEMBL21709015

SCHEMBL21709015

c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccc6ccccc6c5)ccc43)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34

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
SCHEMBL19829068 0.95 KDM4E (0.44) KDM4EATML3MBTL1F2F10
SCHEMBL21030893 0.92 KDM4E (0.42) KDM4EL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL20391592 0.92 NR3C1 (0.36) PIK3CDPIK3CAMTORMAPK10MAPK9
SCHEMBL19653500 0.91 KDM4E (0.47) KDM4EATML3MBTL1F2F10
SCHEMBL19653023 0.91 KDM4E (0.47) KDM4EATML3MBTL1F2F10
SCHEMBL19653100 0.91 KDM4E (0.47) KDM4EATML3MBTL1F2F10
SCHEMBL20826228 0.90 NR3C1 (0.37) PIK3CDPIK3CAMTORMAPK10MAPK9
SCHEMBL15479758 0.90 KDM4E (0.41) KDM4EATML3MBTL1F2F10
SCHEMBL30475208 0.90 KDM4E (0.46) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL15480403 0.90 KDM4E (0.46) KDM4EATML3MBTL1TUBB4ATUBB

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
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed