SCHEMBL7955347

SCHEMBL7955347

O=C(O)c1cn(C2CCC3(CC2)OCCO3)c2ncccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TYK2 P29597 2/20 0.40
TOP2A P11388 3/20 0.40
TOP2B Q02880 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PIK3CG P48736 1/20 0.39
GSK3B P49841 2/20 0.38
DPP4 P27487 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PKM P14618 2/20 0.37
KDM6B O15054 1/20 0.36
KDM6A O15550 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 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
SCHEMBL7960307 0.86 KDM4E (0.55) KDM4ETOP2ATOP2BPIK3CGGSK3B
SCHEMBL7955441 0.85 ELANE (0.49) KDM4ETYK2ALDH1A1GAAHPGD
SCHEMBL7964066 0.85 CNR1 (0.46) TYK2PKMPDE4AKCNH2
SCHEMBL7951788 0.84 KDM4E (0.60) KDM4ETOP2ATOP2BALDH1A1GAA
SCHEMBL7946345 0.84 KDM4E (0.63) KDM4ETOP2ATOP2BALDH1A1GAA
SCHEMBL7953294 0.83 KDM4E (0.65) KDM4ETOP2ATOP2BALDH1A1GAA
SCHEMBL7963122 0.82 KDM4E (0.51) KDM4ETOP2ATOP2BPIK3CGGSK3B
SCHEMBL7963124 0.82 KDM4E (0.51) KDM4ETOP2ATOP2BPIK3CGGSK3B
SCHEMBL7954825 0.81 KDM4E (0.46) KDM4ETYK2TOP2ATOP2BPIK3CG
SCHEMBL7946367 0.81 KDM4E (0.46) KDM4ETYK2TOP2ATOP2BPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed