SCHEMBL28112338

SCHEMBL28112338

O=C1c2ncc(-c3ccc(Br)cc3)cc2-c2cc(-c3ccc(Br)cc3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.41
TDP2 O95551 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S100A4 P26447 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
PTPRC P08575 1/20 0.36
USP7 Q93009 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL28112786 0.81 BIRC5 (0.51) MAOBTDP2MEN1KMT2A
SCHEMBL28112787 0.76 DYRK1A (0.39) SMN1; SMN2TDP2S100A4TOP2ATOP2B
SCHEMBL16601684 0.70 USP7 (0.56) NPC1RAB9ASMN1; SMN2MAOBUSP7
SCHEMBL28228831 0.70 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MAOBTDP2
SCHEMBL12556925 0.69 NPC1 (0.50) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16656189 0.67 KMT2A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL15764218 0.67 FYN (0.47) USP7MAP4K4FYNMINK1TNIK
SCHEMBL16520501 0.66 NPC1 (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5037032 0.65 CLK1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL12562404 0.64 NPC1 (0.47) NPC1RAB9ANFKB1NFKB2RELA

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
CN-107068887-B A kind of organic electroluminescence device and its application 中节能万润股份有限公司 2018-10-02 CN disclosed
CN-106188037-B A kind of compound and its application based on the Fluorenone of 1,8 diaza 9 中节能万润股份有限公司 2018-02-06 CN disclosed
CN-107068887-A A kind of organic electroluminescence device and its application 中节能万润股份有限公司 2017-08-18 CN disclosed
CN-106188037-A A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof 中节能万润股份有限公司 2016-12-07 CN disclosed