SCHEMBL9679451

SCHEMBL9679451

O=C(O)c1cnc2ncnn2c1S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
AURKA O14965 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 1/20 0.32
LIMK1 P53667 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL9770304 0.81 RXFP1 (0.39) KDM4EALDH1A1TDP1AURKARXFP1
SCHEMBL10408140 0.79 KDM4E (0.37) KDM4EALDH1A1TDP1AURKARXFP1
SCHEMBL9677476 0.75 KDM4E (0.44) KDM4EALDH1A1TDP1POLBHSD17B10
SCHEMBL10407785 0.75 POLB (0.59) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL9822273 0.74 KDM4E (0.42) KDM4EALDH1A1TDP1POLBHSD17B10
SCHEMBL9822217 0.72 KDM4E (0.40) KDM4EALDH1A1TDP1RXFP1POLB
SCHEMBL9822031 0.70 KDM4E (0.41) KDM4EALDH1A1TDP1POLBHSD17B10
SCHEMBL10407369 0.70 ALDH1A1 (0.60) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL9822185 0.69 KDM4E (0.43) KDM4EALDH1A1TDP1POLBHSD17B10
SCHEMBL9679458 0.69 KDM4E (0.35) KDM4EALDH1A1TDP1POLBL3MBTL1

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
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4966900-A FOR MICROBISM THERAPY, BACTERIAL INFECTIONS SANKEI PHARMACEUTICAL COMPANY LTD. (JP) 1990-10-30 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed
EP-0254495-A2 Beta-Lactam compound, method for preparing the same, medicinal composition for bacterially infectious disease therapy containing the same and intermediates for synthesis of the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1988-01-27 EP disclosed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed