SCHEMBL23936305

SCHEMBL23936305

CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c2C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.32
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
SLC9A1 P19634 2/20 0.32
CYP1A2 P05177 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
GPR3 P46089 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23936432 0.90 F9 (0.34) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23936271 0.90 MAPT (0.34) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23936690 0.90 MAPT (0.34) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23936240 0.89 SLC9A1 (0.34) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23437709 0.84 ALOX5 (0.33) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23033051 0.84 PIM3 (0.38) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL23936464 0.84 PIM3 (0.39) PIM3F9CYP1A2PTPN7DUSP3
SCHEMBL23935973 0.84 PIM3 (0.39) PIM3F9CYP1A2PTPN7DUSP3
SCHEMBL20086878 0.83 PIM3 (0.33) PIM3F9ALOX5SLC9A1CYP1A2
SCHEMBL22986980 0.83 MAPT (0.34) PIM3F9ALOX5SLC9A1CYP1A2

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
US-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed