SCHEMBL26233244

SCHEMBL26233244

c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PRKDC P78527 3/20 0.34
PARP14 Q460N5 1/20 0.34
PDK2 Q15119 1/20 0.32
APP P05067 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
F9 P00740 1/20 0.31
PIK3CD O00329 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
LIMK1 P53667 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
SCHEMBL16996318 1.00 ALOX5 (0.46) ALOX5PRKDCPARP14PDK2APP
SCHEMBL16996483 0.98 ALOX5 (0.48) ALOX5PRKDCPARP14PIK3CDBRD4
SCHEMBL16996360 0.98 ALOX5 (0.48) ALOX5PRKDCPARP14PIK3CDBRD4
SCHEMBL16133392 0.97 ALOX5 (0.45) ALOX5PRKDCPARP14PDK2TNKS
SCHEMBL16996321 0.97 ALOX5 (0.45) ALOX5PRKDCPARP14PDK2TNKS
SCHEMBL16996510 0.96 ALOX5 (0.43) ALOX5PRKDCPARP14PDK2TNKS
SCHEMBL17816817 0.96 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2TNKS
SCHEMBL26999799 0.95 ALOX5 (0.44) ALOX5PRKDCPARP14
SCHEMBL16996525 0.95 ALOX5 (0.46) ALOX5PRKDCPARP14PDK2TNKS
SCHEMBL17806868 0.95 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2

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-3185333-B1 ORGANOSELENIUM MATERIALS AND THEIR USES IN ORGANIC LIGHT EMITTING DEVICES UNIVERSAL DISPLAY CORP (US) 2023-09-06 EP disclosed