SCHEMBL17034622

SCHEMBL17034622

CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4ccc5c(c43)C(C)(C)c3ccccc3-5)cc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC4 P56524 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL19196561 0.97 KDM4E (0.36) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL15583037 0.94 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL17034853 0.94 HDAC4 (0.30) KDM4EATML3MBTL1HDAC4
SCHEMBL20698317 0.94 KDM4E (0.34) KDM4EATML3MBTL1DUSP3
SCHEMBL15583032 0.94 KDM4E (0.38) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL17759871 0.94 KDM4E (0.35) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL15582915 0.94 KDM4E (0.38) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL19653563 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL19653630 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL19653533 0.93 KDM4E (0.38) KDM4EATML3MBTL1HDAC4DUSP3

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-2015124255-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-08-27 WO disclosed