SCHEMBL7966602

SCHEMBL7966602

COC(=O)N1CC(n2cc(C(=O)Nc3cccnc3)c(=O)c3cccnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
ELANE P08246 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 4/20 0.42
NAMPT P43490 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
TSHR P16473 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
POLB P06746 1/20 0.41
PDE4A P27815 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7951843 0.91 PDE4A (0.48) ELANEKCNH2POLBPDE4ANPC1
SCHEMBL7960147 0.86 HTT (0.51) HTTELANEPKMKCNH2NAMPT
SCHEMBL7960245 0.86 PDE4A (0.58) KCNH2PDE4A
SCHEMBL7951758 0.83 PDE4A (0.43) KCNH2PDE4AKDM4E
SCHEMBL7962912 0.83 HTT (0.47) HTTELANEPKMKCNH2NAMPT
SCHEMBL7962911 0.83 HTT (0.47) HTTELANEPKMKCNH2NAMPT
SCHEMBL7960156 0.80 PDE4A (0.56) KCNH2PDE4A
SCHEMBL7960159 0.80 PDE4A (0.56) KCNH2PDE4A
SCHEMBL7960332 0.80 PDE4A (0.56) KCNH2PDE4A
SCHEMBL7966496 0.79 ELANE (0.49) HTTELANETDP1KCNH2HSD17B10

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