SCHEMBL8329161

SCHEMBL8329161

O=C=C1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
TDP2 O95551 3/20 0.45
MAOA P21397 2/20 0.45
APAF1 O14727 2/20 0.45
PLA2G1B P04054 2/20 0.45
ATG4B Q9Y4P1 2/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CES2 O00748 1/20 0.45
TERT O14746 1/20 0.45
NPC1 O15118 1/20 0.45
PLIN1 O60240 1/20 0.45
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.45
BCHE P06276 1/20 0.45
POLB P06746 1/20 0.45
PTPRC P08575 1/20 0.45

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
SCHEMBL28939128 0.88 MEN1 (0.40) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL23298937 0.86 MEN1 (0.63) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL995758 0.76 MAOA (0.56) MEN1KMT2AMAPK1TDP2MAOA
SCHEMBL8678317 0.73 MEN1 (0.42) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL8946646 0.73 MEN1 (0.50) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL30664840 0.73 MEN1 (0.50) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL1158510 0.73 MEN1 (0.50) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL38662448 0.73 TTR (0.50) MEN1KMT2AMAPK1MAOAKDM4E
Methane SCHEMBL8638123 0.71 MEN1 (0.47) S100A4MEN1KMT2AMAPK1TDP2
SCHEMBL49870 0.71 MEN1 (0.61) S100A4MEN1KMT2AMAPK1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205856-B Fluorescent material for sensitively and selectively detecting benzene series and preparation method and application thereof 中国科学院化学研究所 2021-06-01 CN claimed
CN-111205856-A Fluorescent material for sensitively and selectively detecting benzene series and preparation method and application thereof 中国科学院化学研究所 2020-05-29 CN claimed
JP-11202511-A None JP disclosed
CN-111205856-B Fluorescent material for sensitively and selectively detecting benzene series and preparation method and application thereof 中国科学院化学研究所 2021-06-01 CN disclosed
CN-111205856-A Fluorescent material for sensitively and selectively detecting benzene series and preparation method and application thereof 中国科学院化学研究所 2020-05-29 CN disclosed
CN-106133075-A Charge-transporting varnish 日产化学工业株式会社 2016-11-16 CN disclosed
JP-H11202511-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR DAINIPPON INK & CHEM INC 1999-07-30 JP disclosed
WO-1998000750-A1 PROCESS FOR PRODUCING LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WITH THE USE OF THE SAME HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1998-01-08 WO disclosed