SCHEMBL15853136

SCHEMBL15853136

CC(C)(C)c1ccc(C#N)c(-c2cccc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.50
FNTB P49356 8/20 0.50
PGGT1B P53609 8/20 0.50
MCL1 Q07820 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL15853131 0.88 XDH (0.46) FNTAFNTBPGGT1BMCL1CA1
SCHEMBL13376107 0.82 MCL1 (0.41) FNTAFNTBPGGT1BMCL1CA1
SCHEMBL15856480 0.80 MCL1 (0.47) FNTAFNTBPGGT1BMCL1CA1
SCHEMBL19901491 0.78 FNTA (0.38) FNTAFNTBPGGT1BMCL1NPC1
SCHEMBL28203557 0.77 CA1 (0.60) MCL1CA1CA2ALDH1A1
SCHEMBL23921174 0.77 ALDH1A1 (0.45) CA1CA2NPC1ALDH1A1PLA2G1B
SCHEMBL17500131 0.77 MEN1 (0.50) MCL1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL15853173 0.77 CA1 (0.49) MCL1CA1CA2ALDH1A1RAB9A
SCHEMBL24617557 0.77 SLC22A12 (0.48) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29945237 0.77 ALDH1A1 (0.45) CA1CA2NPC1ALDH1A1PLA2G1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed