SCHEMBL9679458

SCHEMBL9679458

O=C(O)c1cnc2cnnn2c1S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
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 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 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
SCHEMBL10408139 0.79 KDM4E (0.35) KDM4EALDH1A1GAAPKMKMT2A
SCHEMBL9679484 0.77 KDM4E (0.46) KDM4EALDH1A1GAAPKMKMT2A
SCHEMBL9679451 0.69 KDM4E (0.37) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL10407785 0.68 POLB (0.59) KDM4EALDH1A1GAAPKMKMT2A
SCHEMBL9677476 0.68 KDM4E (0.44) KDM4EALDH1A1KMT2ATDP1HPGD
SCHEMBL10407369 0.67 ALDH1A1 (0.60) KDM4EALDH1A1KMT2ATDP1HPGD
SCHEMBL9822273 0.65 KDM4E (0.42) KDM4EALDH1A1PKMKMT2ATDP1
SCHEMBL9822217 0.63 KDM4E (0.40) KDM4EALDH1A1KMT2ATDP1HPGD
SCHEMBL9822185 0.63 KDM4E (0.43) KDM4EALDH1A1KMT2ATDP1HPGD
SCHEMBL2534955 0.61 NAPRT (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA

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 5 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