SCHEMBL21583582

SCHEMBL21583582

C1=CC(c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)=CCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
PTGER4 P35408 1/20 0.34
TSPO P30536 1/20 0.33
HDAC4 P56524 1/20 0.33
KMT2A Q03164 2/20 0.33
IL1R1 P14778 1/20 0.33
KDR P35968 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PTPN1 P18031 2/20 0.31
MAPK8 P45983 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
SCHEMBL22457078 0.99 L3MBTL1 (0.49) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL23352234 0.96 L3MBTL1 (0.44) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL20392242 0.96 L3MBTL1 (0.46) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL21698273 0.95 L3MBTL1 (0.43) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL23228100 0.95 L3MBTL1 (0.43) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL19723411 0.94 L3MBTL1 (0.42) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL23284396 0.93 ATM (0.40) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL24445267 0.92 L3MBTL1 (0.41) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL19387797 0.92 L3MBTL1 (0.41) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL22173059 0.92 ATM (0.39) L3MBTL1KDM4EATMTSPOHDAC4

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
EP-3575296-A1 TRIAZINE COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-12-04 EP disclosed