SCHEMBL16170128

SCHEMBL16170128

c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(c4cc(-c5ccc6ccccc6c5)ccc4n2-c2ccccc2)n3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR1D P28221 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL16170110 0.94 PIK3CD (0.34) PIK3CDPIK3CAMTORESR1ESR2
SCHEMBL16170140 0.94 PIK3CA (0.36) PIK3CDPIK3CAMTORACMSDESR1
SCHEMBL16170200 0.93 ESR1 (0.35) PIK3CDPIK3CAMTORACMSDESR1
SCHEMBL16170155 0.92 ESR1 (0.33) PIK3CDPIK3CAMTORACMSDESR1
SCHEMBL16162907 0.92 KDM4E (0.36) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL16170107 0.91 ESR1 (0.34) PIK3CDPIK3CAMTORACMSDESR1
SCHEMBL16170116 0.91 PIK3CA (0.33) PIK3CDPIK3CAMTORACMSDESR1
SCHEMBL16170129 0.91 KDM4E (0.37) KDM4EATML3MBTL1MAPK8MAPT
SCHEMBL16170212 0.90 KDM4E (0.34) KDM4EATML3MBTL1MAPK9MAPK10
SCHEMBL16170139 0.89 L3MBTL1 (0.36) KDM4EATML3MBTL1MAPTALDH1A1

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-8987462-B2 Compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-8987462-B2 Compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-20140306197-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-10-16 — — US disclosed
US-20140306197-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-10-16 — — US disclosed
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