SCHEMBL23936690

SCHEMBL23936690

CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
PIM3 Q86V86 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 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
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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

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
SCHEMBL23936464 0.94 PIM3 (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22986980 0.93 MAPT (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL23936271 0.93 MAPT (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL23936432 0.91 F9 (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22986978 0.91 MAPT (0.35) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL23936169 0.90 PIM3 (0.35) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL23936305 0.90 PIM3 (0.32) MAPTALDH1A1PIM3CYP1A2GPR3
SCHEMBL23437168 0.88 PIM3 (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL23437475 0.88 PIM3 (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22986981 0.87 MAPT (0.38) MAPTALDH1A1MEN1KMT2AHPGD

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