SCHEMBL24889586

SCHEMBL24889586

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6sc54)cc3)c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.43
ALOX5 P09917 1/20 0.43
PARP14 Q460N5 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
SLC9A1 P19634 2/20 0.34
PRKDC P78527 2/20 0.33
GPR3 P46089 1/20 0.33
LIMK1 P53667 4/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL15964363 0.93 ALOX5 (0.50) F9ALOX5PARP14TNKSTNKS2
SCHEMBL12283031 0.93 ALOX5 (0.50) F9ALOX5PARP14TNKSTNKS2
SCHEMBL21214776 0.93 ALOX5 (0.46) F9ALOX5PARP14TNKSTNKS2
SCHEMBL24370074 0.93 ALOX5 (0.46) F9ALOX5PARP14TNKSTNKS2
SCHEMBL26759871 0.92 F9 (0.41) F9ALOX5PARP14TNKSTNKS2
SCHEMBL12282935 0.92 ALOX5 (0.44) F9ALOX5PARP14TNKSTNKS2
SCHEMBL24370018 0.92 ALOX5 (0.45) F9ALOX5PARP14TNKSTNKS2
SCHEMBL24370050 0.92 ALOX5 (0.45) F9ALOX5PARP14TNKSTNKS2
SCHEMBL24887602 0.92 ALOX5 (0.47) F9ALOX5PARP14TNKSTNKS2
SCHEMBL6372548 0.92 ALOX5 (0.42) F9ALOX5PARP14TNKSTNKS2

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 WO disclosed