SCHEMBL13822700

SCHEMBL13822700

C=CN1C=CN(C)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1830962 0.80 RECQL (0.44) GAARECQLPOLBALDH1A1TSHR
SCHEMBL28633558 0.71 GAA (0.39) GAARECQLPOLBALDH1A1TSHR
SCHEMBL5290702 0.69 MAPT (0.38) GAARECQLPOLBALDH1A1HTT
Iodide SCHEMBL26097209 0.68 MAPT (0.37) GAARECQLPOLBALDH1A1HTT
SCHEMBL3778884 0.68 GAA (0.37) GAARECQLPOLBHTTMEN1
SCHEMBL5287385 0.68 MAPT (0.40) GAARECQLPOLBALDH1A1HTT
SCHEMBL5831824 0.67
SCHEMBL17238245 0.67 GAA (0.36) GAARECQLPOLBALDH1A1CHRNB2
SCHEMBL5289455 0.67 DRD2 (0.42) GAARECQLPOLBHTTMEN1
SCHEMBL5296270 0.66 MC4R (0.38) GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9356318-B2 Gel polymer electrolyte composition KURARAY CO., LTD. (JP) 2016-05-31 US disclosed
EP-2524932-B1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO (JP) 2015-11-25 EP disclosed
CN-102791747-B Gel polymer electrolyte composition KURARAY CO 2014-08-06 CN disclosed
US-20120321963-A1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO., LTD. (JP) 2012-12-20 US disclosed
EP-2524932-A1 GEL POLYMER ELECTROLYTE COMPOSITION Kuraray Co., Ltd. (JP) 2012-11-21 EP disclosed
CN-102791747-A Gel polymer electrolyte composition KURARAY CO 2012-11-21 CN disclosed