SCHEMBL9954686

SCHEMBL9954686

COc1ncc(Br)cc1S(=O)(=O)NC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MAPT P10636 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
BRD4 O60885 2/20 0.44
BRD3 Q15059 2/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL9953075 0.99 PIK3C3 (0.52) PIK3C3SMN1; SMN2HTTPOLBTP53
SCHEMBL14305926 0.97 PIK3C3 (0.55) PIK3C3SMN1; SMN2HTTPOLBTP53
SCHEMBL9954020 0.95 PIK3C3 (0.49) PIK3C3SMN1; SMN2HTTPOLBTP53
Pyridine SCHEMBL9955114 0.91 PIK3C3 (0.48) PIK3C3SMN1; SMN2HTTPOLBTP53
SCHEMBL21760960 0.89 PIK3C2G (0.48) PIK3C3SMN1; SMN2HTTPOLBKDM4E
SCHEMBL19303684 0.89 PIK3C2G (0.48) PIK3C3SMN1; SMN2HTTPOLBKDM4E
SCHEMBL9953196 0.89 PIK3CG (0.46) PIK3C3SMN1; SMN2HTTPOLBTP53
SCHEMBL9953667 0.83 PIK3C3 (0.42) PIK3C3POLBKDM4EHSD17B10MAPT
SCHEMBL14317987 0.81 PI4KB (0.42) PIK3C3SMN1; SMN2POLBALDH1A1MEN1
SCHEMBL23663187 0.80 PIK3C3 (0.47) PIK3C3SMN1; SMN2HTTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed