SCHEMBL23487189

SCHEMBL23487189

c1ccc2c(-c3ccc4c5sc6cccc7c8ccccc8c8ccccc8n(c4c3)c5c67)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
MCL1 Q07820 2/20 0.34
ACMSD Q8TDX5 1/20 0.34
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
FLT3 P36888 3/20 0.32
PRKDC P78527 2/20 0.32
BMX P51813 2/20 0.32
F9 P00740 1/20 0.32
NTSR1 P30989 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 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
SCHEMBL23487211 0.89 CYP1A1 (0.33) ALOX5S1PR4S1PR5F9NTSR1
SCHEMBL23487194 0.84 KDM4E (0.32) ALOX5
SCHEMBL23487255 0.83 GPR3 (0.33) ALOX5
SCHEMBL23487218 0.81 MAPT (0.36)
SCHEMBL22178602 0.78 ALOX5 (0.57) ALOX5PRKDCF9
SCHEMBL17995058 0.77 ALOX5 (0.56) ALOX5S1PR4S1PR5PRKDCF9
SCHEMBL23486938 0.76 ALDH1A1 (0.43)
SCHEMBL26286554 0.75 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL21453844 0.75 FLT3 (0.30) FLT3BMX
SCHEMBL23487192 0.75 HSD17B10 (0.33)

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed