SCHEMBL24252001

SCHEMBL24252001

CC1(C)c2cc(-c3ccc4nc(-c5cccc(-c6ccccc6)c5)c(-c5ccccc5)nc4c3)ccc2-c2cc3ccccc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
L3MBTL1 Q9Y468 7/20 0.43
KDM4E B2RXH2 7/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
LMNA P02545 5/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL22186235 0.95 L3MBTL1 (0.48) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL21667416 0.92 L3MBTL1 (0.47) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL14508285 0.90 TDP1 (0.49) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL14508274 0.90 TDP1 (0.49) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL14508249 0.88 TDP1 (0.50) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL22186469 0.88 L3MBTL1 (0.38) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL14508259 0.88 L3MBTL1 (0.44) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL21667629 0.87 L3MBTL1 (0.41) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL18996717 0.85 TDP1 (0.44) ALDH1A1L3MBTL1KDM4EKMT2AATM
SCHEMBL22868656 0.84 KDM4E (0.42) ALDH1A1L3MBTL1KDM4EKMT2AATM

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-20220052271-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-17 US disclosed