SCHEMBL9968202

SCHEMBL9968202

CC(C)(C)Cc1cc2c3ccccc3n(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(CC(C)(C)C)ncc65)c4)cc3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
PPARG P37231 3/20 0.33
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TSPO P30536 1/20 0.31
HDAC4 P56524 1/20 0.31
KMT2A Q03164 2/20 0.31
IL1R1 P14778 1/20 0.31
PTGER4 P35408 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21085499 0.88 KDM4E (0.49) L3MBTL1KDM4EATMPPARGKMT2A
SCHEMBL31243310 0.78 ATM (0.61) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL8739865 0.78 ATM (0.61) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL21481284 0.77 L3MBTL1 (0.44) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL9968240 0.77 PPARG (0.37) L3MBTL1KDM4EATMPPARGPPARA
SCHEMBL23297733 0.76 L3MBTL1 (0.55) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL16848801 0.76 L3MBTL1 (0.55) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL14340253 0.76 ATM (0.59) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL8739896 0.76 KDM4E (0.41) L3MBTL1KDM4EATMTSPOKMT2A
SCHEMBL8739893 0.76 KDM4E (0.41) L3MBTL1KDM4EATMTSPOKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed