SCHEMBL21709230

SCHEMBL21709230

c1ccc(-c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK10 P53779 6/20 0.40
MAPK9 P45984 5/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
HDAC4 P56524 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
HPGD P15428 1/20 0.38
MAPK8 P45983 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL19500800 0.98 KDM4E (0.44) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19500798 0.98 KDM4E (0.49) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19036992 0.98 KDM4E (0.49) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19500799 0.97 KDM4E (0.44) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL12699666 0.97 KDM4E (0.48) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19500795 0.96 ATM (0.46) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19131225 0.96 ATM (0.46) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL19500794 0.95 KDM4E (0.53) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL20149439 0.95 KDM4E (0.46) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL24004447 0.94 KDM4E (0.41) KDM4EATML3MBTL1MAPK10MAPK9

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-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
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