SCHEMBL23936203

SCHEMBL23936203

CC1(C)c2ccccc2-c2ccccc2C1(c1ccccc1)c1ccc(-c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 7/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL23936659 0.94 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1PIK3R1PIK3CA
SCHEMBL23936608 0.92 TDP1 (0.47) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL23936617 0.86 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL23936775 0.84 KMT2A (0.49) ALDH1A1KDM4EL3MBTL1PIK3R1PIK3CA
SCHEMBL23936219 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1PIK3R1PIK3CA
SCHEMBL23936473 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1PIK3R1PIK3CA
SCHEMBL23936204 0.81 PDK2 (0.35) ALDH1A1KDM4EL3MBTL1KMT2AHPGD
SCHEMBL23936074 0.80 L3MBTL1 (0.41) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL23936003 0.79 KMT2A (0.45) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL23936009 0.79 L3MBTL1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2AATM

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