SCHEMBL7946345

SCHEMBL7946345

O=C(O)c1cn(C2CCCC2)c2ncccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GSK3B P49841 3/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TOP2A P11388 3/20 0.45
TOP2B Q02880 3/20 0.45
PKM P14618 2/20 0.44
PDE4A P27815 1/20 0.44
KCNH2 Q12809 1/20 0.44
PIK3CG P48736 1/20 0.43
HTR6 P50406 1/20 0.43
ELANE P08246 2/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL7953294 0.99 KDM4E (0.65) KDM4EMEN1KMT2AGSK3BALDH1A1
SCHEMBL7951788 0.97 KDM4E (0.60) KDM4EMEN1KMT2AGSK3BALDH1A1
SCHEMBL7960307 0.95 KDM4E (0.55) KDM4EMEN1KMT2AGSK3BTOP2A
SCHEMBL7963122 0.90 KDM4E (0.51) KDM4EMEN1KMT2AGSK3BTOP2A
SCHEMBL7963124 0.90 KDM4E (0.51) KDM4EMEN1KMT2AGSK3BTOP2A
SCHEMBL7955375 0.89 KDM4E (0.50) KDM4EMEN1KMT2AGSK3BTOP2A
SCHEMBL7951798 0.86 KDM4E (0.47) KDM4EGSK3BTOP2ATOP2BPKM
SCHEMBL7946466 0.86 KDM4E (0.47) KDM4EGSK3BTOP2ATOP2BPKM
SCHEMBL7963744 0.85 KDM4E (0.46) KDM4EGSK3BTOP2ATOP2BPKM
SCHEMBL7954825 0.84 KDM4E (0.46) KDM4ETOP2ATOP2BPIK3CG

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-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 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
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed