SCHEMBL9822778

SCHEMBL9822778

O=C=C1C=Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
USP2 O75604 1/20 0.45
PPARG P37231 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL2876692 0.69 ALDH1A1 (0.47) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL309794 0.69 MAPT (0.50) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL25873873 0.69 MEN1 (0.45) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL10596267 0.69 MAPT (0.40) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL1600165 0.68 ALDH1A1 (0.35) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL1773148 0.67 MEN1 (0.40) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL16306321 0.67 MEN1 (0.46) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL14576557 0.65 MEN1 (0.41) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL3462381 0.65 MEN1 (0.41) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL11162416 0.64 MEN1 (0.44) MEN1KMT2AUSP2PPARGKEAP1

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
CN-107311945-A Thiosemicarbazones part and preparation method thereof, thiosemicarbazones metal complex and preparation method thereof 河南理工大学 2017-11-03 CN claimed
CN-107311945-A Thiosemicarbazones part and preparation method thereof, thiosemicarbazones metal complex and preparation method thereof 河南理工大学 2017-11-03 CN disclosed
CN-107311945-A Thiosemicarbazones part and preparation method thereof, thiosemicarbazones metal complex and preparation method thereof 河南理工大学 2017-11-03 CN disclosed
EP-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0288898-A1 Substituted chinoxalyl-imidazolidine-2,4-diones, process for their preparation, their use as medicaments and pharmacological preparations HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed