SCHEMBL16170107

SCHEMBL16170107

c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(c4ccccc4n2-c2ccc(-c4ccc5ccccc5c4)cc2)n3-c2ccc(-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL16170200 0.94 ESR1 (0.35) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL16170140 0.93 PIK3CA (0.36) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL16170128 0.91 PIK3CD (0.35) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL16170110 0.91 PIK3CD (0.34) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL16170116 0.90 PIK3CA (0.33) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL16170105 0.90 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL16170125 0.90 HPGD (0.34) KDM4EATML3MBTL1
SCHEMBL16170100 0.90 L3MBTL1 (0.39) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL16170126 0.90 L3MBTL1 (0.39) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL16170138 0.89 L3MBTL1 (0.36) NR3C1KDM4EATML3MBTL1ACMSD

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
Send feedback