SCHEMBL9258758

SCHEMBL9258758

COc1ccc(S(=O)(=O)Nc2nc3c(c(=O)[nH]c(=O)n3CC3CC3)n2C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.74
PDE4B Q07343 9/20 0.74
PDE4C Q08493 9/20 0.74
PDE4D Q08499 9/20 0.74
PDE5A O76074 8/20 0.74
KDM4E B2RXH2 6/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 1/20 0.45
MAPT P10636 5/20 0.44
G6PD P11413 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 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
SCHEMBL9258768 0.86 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7400585 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7451032 0.75 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7446384 0.73 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7395897 0.72 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7451337 0.71 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL16199485 0.67 MAP3K11 (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13789762 0.64 POLB (0.79) PDE5AKDM4EHPGDMAPTG6PD
SCHEMBL7399392 0.64 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7400203 0.64 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A

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
US-5409934-A Antiallergens BEECHAM GROUP P.L.C. (GB) 1995-04-25 US disclosed