SCHEMBL28323925

SCHEMBL28323925

O=C(O)c1cc(-c2nc[nH]n2)c(C(=O)O)cc1-c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DYRK1A Q13627 1/20 0.32
DDT P30046 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL28365964 0.84 KDM4E (0.40) HSD17B10GAAKDM4EASPHKDM8
SCHEMBL31055665 0.77 ACLY (0.36) TSHRGAAKDM4EASPHKDM8
SCHEMBL28992433 0.73 ALOX15 (0.38) TSHRHSD17B10SMN1; SMN2KDM4EASPH
SCHEMBL28992437 0.72 ALOX15 (0.36) TSHRHSD17B10SMN1; SMN2KDM4EASPH
SCHEMBL30610302 0.69 XDH (0.53) GAAKDM4EALDH1A1
SCHEMBL4224606 0.69 KDM4E (0.47) TSHRHSD17B10KDM4EALDH1A1TP53
SCHEMBL4231277 0.68 KMO (0.53) GAASMN1; SMN2KDM4EDDTALDH1A1
SCHEMBL14321366 0.68 KDM4C (0.47) HSD17B10SMN1; SMN2KDM4EDYRK1AALDH1A1
SCHEMBL4772912 0.68 CSNK1A1 (0.50) TSHRHSD17B10KDM4EALDH1A1
SCHEMBL9815359 0.68 CGAS (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN claimed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN disclosed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN disclosed
CN-107417712-A A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2017-12-01 CN disclosed