SCHEMBL7962912

SCHEMBL7962912

O=C(Nc1cccnc1)c1cn(C2CCC(O)CC2)c2ncccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ELANE P08246 1/20 0.47
PKM P14618 2/20 0.46
KCNH2 Q12809 4/20 0.46
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
PDE4A P27815 1/20 0.43
GSK3A P49840 1/20 0.42
NAMPT P43490 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHKA P35790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.40

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
SCHEMBL7962911 1.00 HTT (0.47) HTTELANEPKMKCNH2HSD17B10
SCHEMBL7960147 0.96 HTT (0.51) HTTELANEPKMKCNH2HSD17B10
SCHEMBL7960294 0.90 CNR1 (0.48) HTTELANEPKMKCNH2PDE4A
SCHEMBL7962005 0.90 CNR1 (0.48) HTTELANEPKMKCNH2PDE4A
SCHEMBL7966298 0.90 CNR1 (0.48) HTTELANEPKMKCNH2PDE4A
SCHEMBL7960497 0.86 CNR1 (0.51) HTTELANEPKMKCNH2PDE4A
SCHEMBL7960320 0.85 KCNH2 (0.49) ELANEPKMKCNH2PDE4A
SCHEMBL7966474 0.85 PKM (0.42) ELANEPKMKCNH2PDE4AKDM4E
SCHEMBL7966470 0.85 PKM (0.42) ELANEPKMKCNH2PDE4AKDM4E
SCHEMBL7966583 0.85 KCNH2 (0.49) ELANEPKMKCNH2PDE4A

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