SCHEMBL19722541

SCHEMBL19722541

C=C(C)Cn1c(=O)n(C)c(=O)n(CC(=C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22899026 0.95 HTT (0.47) HTTMAPK1ALDH1A1POLBGAA
SCHEMBL295471 0.91 HTT (0.46) HTTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL11187717 0.88 HTT (0.42) HTTMAPK1ALDH1A1POLBGAA
SCHEMBL22899028 0.87 GRM2 (0.37) HTTMAPK1ALDH1A1POLB
SCHEMBL19722545 0.87 CYP3A4 (0.55) HTTMAPK1ALDH1A1GAAKMT2A
SCHEMBL11182513 0.84 HTT (0.41) HTTMAPK1ALDH1A1GAAPDE4A
SCHEMBL22898910 0.83 HTT (0.40) HTTMAPK1ALDH1A1PDE4APDE4B
SCHEMBL11185773 0.83 HTT (0.40) HTTMAPK1ALDH1A1GAAKMT2A
SCHEMBL11188536 0.83 HTT (0.40) HTTMAPK1ALDH1A1GAAKMT2A
SCHEMBL22899034 0.83 HTT (0.40) HTTMAPK1ALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3780226-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2022-05-11 EP disclosed
EP-3780226-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2021-02-17 EP disclosed
EP-2314635-B1 METHOD FOR MEASURING A PERFLUORO COMPOUND WITH A FILLER WAKO PURE CHEM IND LTD (JP) 2017-12-20 EP disclosed