SCHEMBL9822086

SCHEMBL9822086

COCc1cc(S)nc2c(C(=O)O)cnn12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
HSD11B1 P28845 2/20 0.43
HSD17B10 Q99714 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 8/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL18208841 0.85 KDM4E (0.62) KDM4EHSD11B1HSD17B10SMN1; SMN2GAA
SCHEMBL9822205 0.84 KDM4E (0.47) KDM4EHSD11B1HSD17B10SMN1; SMN2GAA
SCHEMBL19436746 0.77 ALDH1A1 (0.57) KDM4EHSD17B10SMN1; SMN2TSHRMEN1
SCHEMBL9300782 0.77 KDM4E (0.71) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL19436621 0.76 ALDH1A1 (0.56) KDM4EHSD17B10SMN1; SMN2TSHRMEN1
SCHEMBL19436798 0.74 HSD17B10 (0.54) KDM4EHSD17B10SMN1; SMN2TSHRMEN1
SCHEMBL19436667 0.74 HSD17B10 (0.68) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL29929318 0.74 HSD17B10 (0.54) KDM4EHSD17B10SMN1; SMN2TSHRMEN1
SCHEMBL18208385 0.74 KDM4E (0.62) KDM4EHSD11B1HSD17B10SMN1; SMN2GAA
SCHEMBL19436650 0.74 HSD17B10 (0.53) KDM4EHSD17B10SMN1; SMN2TSHRMEN1

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