SCHEMBL6007286

SCHEMBL6007286

C#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C#C)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL6006546 1.00 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL449262 0.90 PDK2 (0.33) PDK2CA12CA1CA2CA9
SCHEMBL29684394 0.90 PDK2 (0.33) PDK2CA12CA1CA2CA9
SCHEMBL10039372 0.81 PDK2 (0.61) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL31061764 0.81 PDK2 (0.61) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL1116174 0.81 PDK2 (0.61) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL4319597 0.81 PDK2 (0.61) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL3845674 0.78 MEN1 (0.57) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21344809 0.78 PDE4D (0.33) PDK2
SCHEMBL15732856 0.78 PGR (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557596-B2 Fluorescence detection of nitrogen-containing explosives and blue organic LED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-15 US claimed
US-9134239-B2 Thin layer high explosive fluorescent polymer sensing methods, sensors and kits THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-15 US disclosed
US-20140017130-A1 THIN LAYER HIGH EXPLOSIVE FLUORESCENT POLYMER SENSING METHODS, SENSORS AND KITS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-16 US disclosed
US-7084231-B2 Polyarylene compounds, polymers thereof, and electroluminescence element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-01 US disclosed
US-20050176915-A1 Polyarylene compounds, polymers thereof, and electroluminescence element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-08-11 US disclosed