SCHEMBL9258768

SCHEMBL9258768

COc1ccc(S(=O)(=O)Nc2nc3[nH]c(=O)n(CC4CC4)c(=O)c3n2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.72
PDE4B Q07343 11/20 0.72
PDE4C Q08493 11/20 0.72
PDE4D Q08499 11/20 0.72
PDE5A O76074 10/20 0.72
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
BRD4 O60885 1/20 0.38
TRIM24 O15164 1/20 0.38
PKM P14618 1/20 0.38
MAP3K11 Q16584 1/20 0.38

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
SCHEMBL9258758 0.86 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7400585 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7451032 0.74 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7395897 0.72 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7446384 0.71 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7451337 0.70 PDE5A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7397785 0.69 GRIN1 (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7399392 0.64 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7400203 0.64 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7403404 0.64 ALDH1A1 (0.57) 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