SCHEMBL16455817

SCHEMBL16455817

N#Cc1ccc2c(c1)c1cc(-c3c4ccccc4c(Br)c4ccccc34)ccc1n2-c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ PDE9A O76083 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ENPP3 O14638 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ ACLY P53396 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP2 O95551 3/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CDY1; CDY1B Q9Y6F8 1/20 0.30
▸ PGR P06401 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
SCHEMBL16548680 0.93 CA1 (0.40) CA1CA2PDE9APDPK1ENPP3
SCHEMBL16548670 0.90 CA1 (0.38) CA1CA2PDE9APDPK1ENPP3
SCHEMBL16456285 0.87 KDM4E (0.39) CA1CA2PTGER4ACLYKDM4E
SCHEMBL16549082 0.87 PIM1 (0.39) CA1CA2PDE9APDPK1ENPP3
SCHEMBL13351783 0.86 PDPK1 (0.39) CA1CA2PDE9APDPK1ENPP3
SCHEMBL19155644 0.86 XDH (0.39) CA1CA2PDE9APDPK1ENPP3
SCHEMBL16456235 0.86 PDPK1 (0.39) CA1CA2PDE9APDPK1PTGER4
SCHEMBL18623566 0.85 CA1 (0.40) CA1CA2PDE9APDPK1ENPP3
SCHEMBL18633410 0.85 CA1 (0.40) CA1CA2PDE9APDPK1ENPP3
SCHEMBL16456228 0.84 CYP11B2 (0.51) CYP17A1CYP11B1CYP11B2ALDH1A1

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-9583715-B2 Anthracene-based compounds and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 — — US disclosed
US-9583715-B2 Anthracene-based compounds and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 — — US disclosed
US-20150041773-A1 ANTHRACENE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-12 — — US disclosed
US-20150041773-A1 ANTHRACENE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-12 — — US disclosed
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