SCHEMBL20172101

SCHEMBL20172101

CC(C)c1ccc2c(c1)c1ncccc1n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
REN P00797 6/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MAT2A P31153 1/20 0.35
PPARG P37231 3/20 0.35
RORA P35398 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
SCHEMBL16640348 0.85 L3MBTL1 (0.41) KDM4EL3MBTL1ATMRENKMT2A
SCHEMBL12442644 0.83 PPARG (0.34) KDM4EL3MBTL1ATMRENTSHR
SCHEMBL13522722 0.82 KDM4E (0.50) KDM4EL3MBTL1ATMMEN1ALDH1A1
SCHEMBL1609866 0.82 KDM4E (0.44) KDM4EL3MBTL1ATMRENMEN1
SCHEMBL15945620 0.81 KDM4E (0.47) KDM4EL3MBTL1ATMRENMEN1
SCHEMBL1102407 0.81 KDM4E (0.60) KDM4EL3MBTL1ATMMEN1ALDH1A1
SCHEMBL16625736 0.80 KDM4E (0.50) KDM4EL3MBTL1ATMRENMEN1
SCHEMBL17264910 0.80 KDM4E (0.50) KDM4EL3MBTL1ATMRENMEN1
SCHEMBL21365405 0.80 KDM4E (0.50) KDM4EL3MBTL1ATMRENMEN1
SCHEMBL10316447 0.80 ADORA3 (0.43) KDM4EL3MBTL1MEN1ALDH1A1HPGD

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
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed