SCHEMBL20065744

SCHEMBL20065744

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE6D O43924 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
SCHEMBL20066191 0.99 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20066190 0.98 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20066181 0.97 L3MBTL1 (0.31) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20066187 0.96 L3MBTL1 (0.31) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20065532 0.95 ALDH1A1 (0.32) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20065529 0.94 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20065540 0.93 KDM4E (0.32) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20065536 0.93 KDM4E (0.32) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20065534 0.92
SCHEMBL20066208 0.92 P2RX4 (0.30)

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
WO-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed