SCHEMBL31764

SCHEMBL31764

c1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
BRCA1 P38398 1/20 0.36
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CYP3A4 P08684 1/20 0.30
ALPI P09923 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL31771 0.95 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL16773309 0.93 ALDH1A1 (0.34) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL19129551 0.93 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL17426323 0.92 KDM4E (0.35) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL16641310 0.92 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL15338030 0.92 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL21742434 0.92 KDM4E (0.35) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL17426292 0.91 KDM4E (0.36) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL15582964 0.91 PPARG (0.35) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL17126272 0.91 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1MEN1

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed