SCHEMBL16604641

SCHEMBL16604641

c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7c5ccc5cccc(c57)n6-c5ccccc5)cc4)ccc3n2-c2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.42
▸ MAPT P10636 6/20 0.38
▸ DHFR P00374 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34

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
SCHEMBL16604589 0.93 MDM2 (0.45) MDM2MAPTDHFRMEN1HSP90AA1
SCHEMBL16604622 0.92 ESR1 (0.42) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604620 0.92 ESR1 (0.42) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604623 0.86 HDAC1 (0.43) MAPTMEN1KMT2APTGER4GFER
SCHEMBL16604635 0.85 ESR1 (0.51) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604618 0.85 ESR1 (0.48) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604630 0.84 ESR2 (0.52) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604592 0.84 ESR1 (0.52) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604596 0.84 ESR1 (0.48) MAPTMEN1HSP90AA1KMT2AESR1
SCHEMBL16604640 0.84 ESR1 (0.42) MAPTMEN1HSP90AA1KMT2AESR1

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-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
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