SCHEMBL9835277

SCHEMBL9835277

N#Cc1oc(C#N)c(C#N)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL57168 0.66 ALDH1A1 (0.47) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL31429764 0.63 KDM4E (0.42) ALDH1A1MAPTHPGDMEN1CYP3A4
SCHEMBL25311012 0.56 MEN1 (0.39) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL57543 0.54 TRPV4 (0.41) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL22849905 0.54 MEN1 (0.37) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL11575580 0.54 ATM (0.37) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL11322706 0.54 MEN1 (0.86) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL21018084 0.54 MEN1 (0.37) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL24725428 0.54 MEN1 (0.37) ALDH1A1MAPTHPGDMEN1TP53
SCHEMBL2154732 0.54 ALDH1A1 (0.39) ALDH1A1MAPTHPGDMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372645-B Production method of fenugreek lactone synthetic spice 安徽华业香料股份有限公司 2022-05-03 CN disclosed
CN-113636992-A Method for synthesizing ethyl fenugreek lactone spice 安徽华业香料合肥有限公司 2021-11-12 CN disclosed
US-11005126-B2 Electrolytic solution for secondary battery, secondary battery, battery pack, electric vehicle, electric power storage system, electric power tool, and electronic device MURATA MANUFACTURING CO., LTD. (JP) 2021-05-11 US disclosed
CN-210528828-U Production device of fenugreek lactone synthetic spice 安徽华业香料股份有限公司 2020-05-15 CN disclosed
US-20190207257-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, BATTERY PACK, ELECTRIC VEHICLE, ELECTRIC POWER STORAGE SYSTEM, ELECTRIC POWER TOOL, AND ELECTRONIC DEVICE EnviroMix, Inc. 2019-07-04 US disclosed
CN-1296124-C Method for preparing compound nanometer filtering membrane of chitosan sulfate-high molecule polymer OCEAN UNIV CHINA (CN) 2007-01-24 CN disclosed
EP-0219154-B1 FURYL COMPOUNDS, THEIR USE AS FUNGICIDES AND THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-11-13 EP disclosed
EP-0219154-A2 Furyl compounds, their use as fungicides and their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-04-22 EP disclosed
EP-0036709-B1 PROCESS FOR MANUFACTURING A POLYCHELATE COATING AND ELECTRODE COATED THEREWITH DIAMOND SHAMROCK CORPORATION (US) 1984-09-19 EP disclosed
US-4448803-A Process for manufacturng a polychelate coating DIAMOND SHAMROCK CORPORATION (US) 1984-05-15 US disclosed
EP-0036709-A2 Process for manufacturing a polychelate coating and electrode coated therewith DIAMOND SHAMROCK CORPORATION (US) 1981-09-30 EP disclosed