SCHEMBL17589474

SCHEMBL17589474

Cc1ccc2c3ccc4c5ccc([Si](c6ccccc6)(c6ccc7c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8n(-c8ccccc8)c7c6)c6ccc7c8ccc9c%10ccc(C)cc%10n(-c%10ccccc%10)c9c8n(-c8ccccc8)c7c6)cc5n(-c5ccccc5)c4c3n(-c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
MAT2A P31153 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
CYP19A1 P11511 1/20 0.33
FGFR1 P11362 1/20 0.33
NR1I2 O75469 1/20 0.33
EGFR P00533 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRD1 P41143 1/20 0.33
PDE4D Q08499 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL10206250 0.96 MAT2A (0.36) KDM4EL3MBTL1ATMMAT2AMAPK1
SCHEMBL19870133 0.89 L3MBTL1 (0.51) KDM4EL3MBTL1ATMMAT2AHTT
SCHEMBL17463300 0.89 KDM4E (0.51) KDM4EL3MBTL1ATMMAT2ARXFP1
SCHEMBL883779 0.88 KDM4E (0.55) KDM4EL3MBTL1ATMMAT2ARXFP1
SCHEMBL19870176 0.87 KDM4E (0.49) KDM4EL3MBTL1ATMMAT2AKMT2A
SCHEMBL12104893 0.85 L3MBTL1 (0.49) KDM4EL3MBTL1ATMMAPK1HTT
SCHEMBL10206212 0.85 L3MBTL1 (0.49) KDM4EL3MBTL1ATMMAPK1HTT
SCHEMBL10090555 0.85 L3MBTL1 (0.41) KDM4EL3MBTL1ATMRXFP1FGFR1
SCHEMBL10206297 0.85 L3MBTL1 (0.55) KDM4EL3MBTL1ATMMAPK1HTT
SCHEMBL25806675 0.85 L3MBTL1 (0.60) KDM4EL3MBTL1ATMMAT2AMAPK1

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
US-20160079545-A1 Organic Electroluminescence Device UDC Ireland (IE) 2016-03-17 US disclosed