SCHEMBL25847350

SCHEMBL25847350

CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 2/20 0.42
HDAC4 P56524 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PTGES O14684 1/20 0.39
MDM2 Q00987 1/20 0.38
KMT2A Q03164 2/20 0.38
TSPO P30536 1/20 0.37
HSD17B2 P37059 1/20 0.37
KIF11 P52732 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PMM2 O15305 1/20 0.37

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
SCHEMBL18022255 0.96 KDM4E (0.53) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL19735295 0.96 ALDH1A1 (0.41) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL24790091 0.94 KDM4E (0.49) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL16171570 0.93 KDM4E (0.50) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL23184829 0.93 KDM4E (0.50) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL15745993 0.93 KDM4E (0.50) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL20391671 0.93 KDM4E (0.49) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL24793869 0.93 KDM4E (0.49) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL18232178 0.93 KDM4E (0.49) KDM4EATML3MBTL1PPARGALDH1A1
SCHEMBL25941751 0.92 ALDH1A1 (0.42) KDM4EATML3MBTL1PPARGALDH1A1

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-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 WO disclosed