SCHEMBL13634179

SCHEMBL13634179

OCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
HDAC4 P56524 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
FDFT1 P37268 2/20 0.36
BCHE P06276 4/20 0.36
PGR P06401 1/20 0.36
PTPN1 P18031 1/20 0.36
PLA2G4A P47712 1/20 0.36
ACHE P22303 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12462123 0.95 KDM4E (0.42) KDM4EATML3MBTL1RORARORC
SCHEMBL23372135 0.87 RORA (0.54) KDM4EATML3MBTL1RORARORC
SCHEMBL3787566 0.84 KDM4E (0.48) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL1201083 0.84 KDM4E (0.48) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL13776939 0.84 RORA (0.47) KDM4EATML3MBTL1RORARORC
SCHEMBL13932547 0.84 RORA (0.47) KDM4EATML3MBTL1RORARORC
SCHEMBL13776934 0.84 KDM4E (0.42) KDM4EATML3MBTL1RORARORC
SCHEMBL10067556 0.84 RORA (0.47) KDM4EATML3MBTL1RORARORC
SCHEMBL13385104 0.82 RORA (0.41) KDM4EATML3MBTL1RORARORC
SCHEMBL25919857 0.82 RORA (0.45) KDM4EATML3MBTL1RORARORC

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
EP-2116531-A1 CBP COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-11-11 EP disclosed