SCHEMBL16768550

SCHEMBL16768550

c1ccc(-c2sc(-c3ccccc3)c3c2ncc2c4cnccc4c4c(-c5ccccc5)sc(-c5ccccc5)c4c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPK10 P53779 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL16768574 0.87 MAPT (0.31) CYP1A2CYP2D6MAPTCYP2C19
SCHEMBL16768527 0.85 TNF (0.43) TNFALOX5MAPK10CSNK2A2CSNK2B
SCHEMBL16768526 0.82 NOTUM (0.42) TNFALOX5MAPK10CSNK2A2CSNK2B
SCHEMBL16768555 0.77 ALOX5 (0.35) ALOX5GABRA1GABRG2GABRB3GABRA5
SCHEMBL16768530 0.76 TNF (0.41) TNFALOX5MAPK10CSNK2A2CSNK2B
SCHEMBL16768536 0.73 TNF (0.41) TNFALOX5MAPK10CSNK2A2CSNK2B
SCHEMBL16768535 0.70 CSNK2A2 (0.41) TNFMAPK10CSNK2A2CSNK2BKDM4E
SCHEMBL16768529 0.70 KDM4E (0.38) ALOX5KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL16768525 0.69 KDM4E (0.44) GABRA1KDM4ECYP1A2MAPT
SCHEMBL16768519 0.69 CYP11B1 (0.49) TNFMAPK10KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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