SCHEMBL17950237

SCHEMBL17950237

N#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ENPP3 O14638 1/20 0.34
▸ RORC P51449 6/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 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
SCHEMBL17950330 0.90 CA1 (0.39) KDM4EL3MBTL1ATMMAPTMEN1
SCHEMBL20067840 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMMAPTENPP3
SCHEMBL20067838 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMMAPTENPP3
SCHEMBL20061221 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMMAPTENPP3
SCHEMBL18374585 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMENPP3RORC
SCHEMBL15250621 0.88 CYP11B1 (0.37) ALDH1A1HPGD
SCHEMBL26776865 0.86 PDE4A (0.35) KDM4EL3MBTL1ATMMAPTMEN1
SCHEMBL26776869 0.86 PDE4A (0.35) KDM4EL3MBTL1ATMMAPTMEN1
SCHEMBL26238194 0.84 KDM4E (0.37) KDM4EL3MBTL1ATMENPP3RORC
SCHEMBL26304896 0.84 KDM4E (0.37) KDM4EL3MBTL1ATMENPP3RORC

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-2016116497-A1 ORGANIC MOLECULES, IN PARTICULAR, FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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