SCHEMBL24748141

SCHEMBL24748141

CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
F9 P00740 1/20 0.33
PRKDC P78527 1/20 0.33
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
PARP14 Q460N5 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
SCHEMBL17733279 0.94 ALOX5 (0.40) ALOX5F9PRKDCMCL1ACMSD
SCHEMBL17126604 0.94 ALOX5 (0.42) ALOX5F9PRKDCMCL1ACMSD
SCHEMBL23225217 0.94 ALOX5 (0.42) ALOX5F9PRKDCMCL1ACMSD
SCHEMBL24749392 0.93 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL24747622 0.93 F9 (0.35) ALOX5F9MCL1ACMSDCHRNA1
SCHEMBL17853245 0.93 ALOX5 (0.40) ALOX5F9PRKDCMCL1ACMSD
SCHEMBL17853254 0.93 ALOX5 (0.40) ALOX5F9PRKDCMCL1ACMSD
SCHEMBL23239484 0.92 ALOX5 (0.40) ALOX5F9PRKDCCHRNA1CHRNG
SCHEMBL23237926 0.92 ALOX5 (0.40) ALOX5F9PRKDCCHRNA1CHRNG
SCHEMBL24748107 0.91 ALOX5 (0.40) ALOX5F9PRKDCCHRNA1CHRNG

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed