SCHEMBL23731992

SCHEMBL23731992

C=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSPO P30536 3/20 0.36
PTGER4 P35408 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HDAC4 P56524 1/20 0.32
NPY5R Q15761 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL21610874 0.94 KDM4E (0.43) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL23544125 0.92 TSPO (0.31) TSPO
SCHEMBL15382706 0.90 KDM4E (0.40) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL23622857 0.90 AVPR1A (0.33) KDM4EATML3MBTL1TSPO
SCHEMBL24609463 0.89 ATM (0.38) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL22868295 0.88 TSPO (0.35) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL23544113 0.88 USP2 (0.32) ATMTSPO
SCHEMBL27415120 0.87 KDM4E (0.38) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL27351133 0.87 KDM4E (0.38) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL20654999 0.87 KDM4E (0.37) KDM4EATML3MBTL1TSPOPTGER4

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-3244466-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-08-04 EP disclosed