SCHEMBL20114441

SCHEMBL20114441

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4ccccc4N5c4ccc5ccccc5c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 5/20 0.36
ACHE P22303 1/20 0.34
HDAC4 P56524 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGER4 P35408 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20114428 0.98 KDM4E (0.37) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114240 0.97 BCHE (0.36) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114055 0.96 BCHE (0.36) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114438 0.96 BCHE (0.38) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114443 0.95 BCHE (0.36) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114433 0.94 BCHE (0.34) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114186 0.92 BCHE (0.33) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114434 0.92 BCHE (0.34) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114427 0.92 BCHE (0.35) BCHEACHEHTR2CADRA1AHTR2B
SCHEMBL20114440 0.92 BCHE (0.35) BCHEACHEHTR2CADRA1AHTR2B

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
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed