SCHEMBL9822098

SCHEMBL9822098

O=C(O)c1cnn2c(CO)cc([S])nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.48
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 5/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CSNK1D P48730 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9822205 0.83 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL9822057 0.76 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL9822070 0.73 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL10407375 0.70 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL18208340 0.70 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL10407365 0.69 KDM4E (0.71) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL1290821 0.67 NR4A3 (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL18208841 0.67 KDM4E (0.62) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL9822086 0.66 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL26101898 0.66 KDM4E (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR

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
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed