SCHEMBL17690789

SCHEMBL17690789

c1ccc2c(-c3ccc(N(c4ccc(N(c5ccc(-c6ccc(N(c7ccc(N(c8ccc(-c9cccc%10ccccc9%10)cc8)c8cccc9ccccc89)cc7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
PPARG P37231 8/20 0.40
PPARA Q07869 8/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PPARD Q03181 1/20 0.39
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL14341469 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL14490056 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL14490129 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL804604 0.98 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL10135976 0.97 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL10136065 0.97 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL10135942 0.95 CA12 (0.45) CA12CA1CA2CA9HDAC8
SCHEMBL14490060 0.95 CA12 (0.45) CA12CA1CA2CA9HDAC8
SCHEMBL10135827 0.95 CA12 (0.45) CA12CA1CA2CA9HDAC8
SCHEMBL10136055 0.95 CA12 (0.45) CA12CA1CA2CA9HDAC8

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
EP-3010068-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2020-12-09 EP disclosed
US-20160111665-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111665-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
EP-3010068-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-04-20 EP disclosed