SCHEMBL15080243

SCHEMBL15080243

CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)cc7)c7ccccc67)cc5)cc4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 2/20 0.39
PTGES O14684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
TSPO P30536 2/20 0.36
HDAC4 P56524 1/20 0.36
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
SERPINE1 P05121 2/20 0.36
GPR84 Q9NQS5 1/20 0.34
KIF11 P52732 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13761981 1.00 KDM4E (0.42) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761982 1.00 KDM4E (0.42) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761720 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761729 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13433164 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL12643567 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761721 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761722 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL12461805 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA
SCHEMBL13761730 0.97 KDM4E (0.44) KDM4EATML3MBTL1PPARGPPARA

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-8475935-B2 2013-07-02 US disclosed
US-8475935-B2 2013-07-02 US disclosed