SCHEMBL23936271

SCHEMBL23936271

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
PIM3 Q86V86 1/20 0.34
CYP1A2 P05177 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDK2 Q15119 2/20 0.33
GPR3 P46089 1/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
NTSR1 P30989 1/20 0.31

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
SCHEMBL23935973 0.94 PIM3 (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23936690 0.93 MAPT (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15501881 0.91 MAPT (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23936169 0.90 PIM3 (0.35) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23936085 0.90 SLC9A1 (0.35) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23936305 0.90 PIM3 (0.32) MAPTALDH1A1PIM3CYP1A2GPR3
SCHEMBL15501378 0.89 PIM3 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL17693930 0.89 PIM3 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23936720 0.88 PIM3 (0.34) PIM3ROCK1PDK2F9ALOX5
SCHEMBL22987196 0.88 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1HPGD

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