SCHEMBL23936240

SCHEMBL23936240

CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.34
PIM3 Q86V86 1/20 0.32
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 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
SCHEMBL23936720 0.94 PIM3 (0.34) SLC9A1PIM3F9ALOX5
SCHEMBL23936085 0.92 SLC9A1 (0.35) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL22987011 0.91 SLC9A1 (0.34) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL23936305 0.89 PIM3 (0.32) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL19039172 0.89 PIM3 (0.33) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL23770505 0.88 PIM3 (0.36) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL22987012 0.88 PIM3 (0.33) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL23936690 0.88 MAPT (0.34) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL23936271 0.88 MAPT (0.34) SLC9A1PIM3F9ALOX5CYP1A2
SCHEMBL22987015 0.86 PIM3 (0.32) SLC9A1PIM3ALOX5CYP1A2ADORA2A

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