SCHEMBL8510659

SCHEMBL8510659

CCn1cc2c(n1)-c1c(C)c(C(=O)Oc3ccnn3CC)cc(C)c1S(=O)(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
SPR P35270 1/20 0.37
LMNA P02545 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8508225 0.82 SPR (0.31) SPR
SCHEMBL8508612 0.80 SPR (0.41) MAPTTP53THRBSPRLMNA
SCHEMBL8564605 0.80
SCHEMBL8508339 0.79 SPR (0.38) MAPTTP53THRBSPRLMNA
SCHEMBL8509170 0.73 MAPT (0.34) MAPTTP53THRBSPRLMNA
SCHEMBL8346483 0.70 GCK (0.32)
SCHEMBL8724298 0.68 SPR (0.47) SPRRAB9A
SCHEMBL8509803 0.67 SPR (0.55) SPR
SCHEMBL30824710 0.66 NAMPT (0.41) MAPTNPC1RAB9A
SCHEMBL8122941 0.64 GCK (0.31) RAB9A

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-5985799-A TRICYCLIC N-HETEROCYCLES, THEIR N-OXIDES, AGRICULTURALLY-SUITABLE SALTS AND COMPOSITIONS, AND METHODS OF THEIR USE FOR CONTROLLING UNDESIRABLE VEGETATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-16 US disclosed