SCHEMBL23936757

SCHEMBL23936757

CC1(C)c2ccccc2-c2ccccc2C1(c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
AKT1 P31749 2/20 0.36
AKT2 P31751 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 6/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 6/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PARP14 Q460N5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL23936840 0.90 MEN1 (0.42) ALOX5KDM4ELMNAALDH1A1GAA
SCHEMBL23936826 0.89 ALOX5 (0.37) ALOX5L3MBTL1KMT2AMEN1PARP14
SCHEMBL23936608 0.82 TDP1 (0.47) TDP1AKT1AKT2KDM4ELMNA
SCHEMBL23936754 0.81 PARP14 (0.34) ALOX5PARP14
SCHEMBL23936011 0.79 TDP1 (0.36) TDP1AKT1AKT2KDM4ELMNA
SCHEMBL23936780 0.79 ALOX5 (0.34) ALOX5PARP14
SCHEMBL23385366 0.78 ALOX5 (0.52) TDP1AKT1AKT2ALOX5KDM4E
SCHEMBL24266571 0.77 ALOX5 (0.51) TDP1AKT1AKT2ALOX5KDM4E
SCHEMBL23936617 0.76 KDM4E (0.42) TDP1AKT1AKT2KDM4ELMNA
SCHEMBL22880452 0.76 L3MBTL1 (0.49) TDP1AKT1AKT2ALOX5KDM4E

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