SCHEMBL13616260

SCHEMBL13616260

CCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(CC)(CC)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 3/20 0.41
RORC P51449 3/20 0.41
RORB Q92753 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 4/20 0.38
FDFT1 P37268 2/20 0.38
PGR P06401 3/20 0.37
PLA2G4A P47712 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL13616266 0.87 RORA (0.42) RORARORCRORBKDM4EATM
SCHEMBL13932547 0.84 RORA (0.47) RORARORCRORBKDM4EATM
SCHEMBL13776939 0.84 RORA (0.47) RORARORCRORBKDM4EATM
SCHEMBL10067556 0.84 RORA (0.47) RORARORCRORBKDM4EATM
SCHEMBL13932489 0.82 RORA (0.44) RORARORCRORBKDM4EATM
SCHEMBL13629284 0.82 RORA (0.45) RORARORCRORBKDM4EATM
SCHEMBL25919857 0.82 RORA (0.45) RORARORCRORBKDM4EATM
SCHEMBL24714320 0.81 KDM4E (0.44) RORARORCRORBKDM4EATM
SCHEMBL15451486 0.81 KDM4E (0.44) RORARORCRORBKDM4EATM
SCHEMBL10100860 0.81 KDM4E (0.53) KDM4EATML3MBTL1PGRMAPT

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
US-7632579-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2009-12-15 US disclosed