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SCHEMBL16613809

SCHEMBL16613809

CC1(C)C=Cc2c(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ TSPO P30536 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16613745 0.99 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613675 0.96 PTGER4 (0.35) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613760 0.96 PTGER4 (0.35) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613616 0.91 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613799 0.91 PTGER4 (0.36) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613759 0.91 PTGER4 (0.33) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613413 0.91 KDM4E (0.33) KDM4EATML3MBTL1NPY5RALDH1A1
SCHEMBL16613676 0.89 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL16613476 0.88 KDM4E (0.34) KDM4EATML3MBTL1NPY5RMAPK1
SCHEMBL16613774 0.88 NPY5R (0.40) KDM4EATML3MBTL1PTGER4NPY5R

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 — — WO disclosed