SCHEMBL16768536

SCHEMBL16768536

c1ccc(-c2nc(-c3ccccc3)nc(-c3sc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c5ccncc5c5cnccc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
LATS1 O95835 3/20 0.40
MAPK10 P53779 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALOX5 P09917 1/20 0.37
PDE5A O76074 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL16768535 0.88 CSNK2A2 (0.41) TNFCSNK2A2CSNK2BMAPK10L3MBTL1
SCHEMBL16768527 0.85 TNF (0.43) TNFCSNK2A2CSNK2BMAPK10ALDH1A1
SCHEMBL16768526 0.82 NOTUM (0.42) TNFCSNK2A2CSNK2BMAPK10ALDH1A1
SCHEMBL16768530 0.78 TNF (0.41) TNFCSNK2A2CSNK2BMAPK10ALOX5
SCHEMBL16768519 0.74 CYP11B1 (0.49) TNFMAPK10CYP1A2SMN1; SMN2NPC1
SCHEMBL16768550 0.73 TNF (0.34) TNFCSNK2A2CSNK2BMAPK10CYP1A2
SCHEMBL16768528 0.72 TNF (0.49) TNFALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL16768525 0.71 KDM4E (0.44) L3MBTL1ALDH1A1CYP1A2GLATSHR
SCHEMBL19009747 0.71 CSNK2A2 (0.45) TNFCSNK2A2CSNK2BLATS1MAPK10
SCHEMBL19009828 0.70 CSNK2A2 (0.47) TNFCSNK2A2CSNK2BLATS1MAPK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed