SCHEMBL16768535

SCHEMBL16768535

c1ccc(-c2cc(-c3ccccc3)nc(-c3sc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c5ccncc5c5cnccc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CYP19A1 P11511 1/20 0.41
TNF P01375 1/20 0.40
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 6/20 0.38
NTSR1 P30989 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPK10 P53779 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL16768536 0.88 TNF (0.41) CSNK2A2CSNK2BTNFALDH1A1KMT2A
SCHEMBL16768527 0.82 TNF (0.43) CSNK2A2CSNK2BTNFALDH1A1HPGD
SCHEMBL16768526 0.80 NOTUM (0.42) CSNK2A2CSNK2BCYP19A1TNFALDH1A1
SCHEMBL18897920 0.79 ALDH1A1 (0.31) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL16768530 0.79 TNF (0.41) CSNK2A2CSNK2BCYP19A1TNFMAPK10
SCHEMBL16768519 0.75 CYP11B1 (0.49) CYP19A1TNFSMN1; SMN2KDM4EMAPK10
SCHEMBL1102755 0.73 MEN1 (0.47) CSNK2A2CSNK2BCYP19A1TNFALDH1A1
SCHEMBL16768525 0.72 KDM4E (0.44) ALDH1A1HPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL17914955 0.70 MEN1 (0.42) CSNK2A2CSNK2BCYP19A1ALDH1A1KMT2A
SCHEMBL16768550 0.70 TNF (0.34) CSNK2A2CSNK2BTNFMAPTKDM4E

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