SCHEMBL529225

SCHEMBL529225

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSPO P30536 2/20 0.34
HDAC4 P56524 1/20 0.32
PTGER4 P35408 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL21082723 0.97 TSPO (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15381023 0.95 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL31571268 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL13803705 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL29993144 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL13805421 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL9916281 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15306389 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL13805425 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL16557340 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9093656-B2 Quantum dots and hosts MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9093656-B2 Quantum dots and hosts MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9093656-B2 Quantum dots and hosts MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20130214249-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130214249-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130214249-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2599141-A1 QUANTUM DOTS AND HOSTS Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012013272-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
WO-2012013272-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed