SCHEMBL9952128

SCHEMBL9952128

Cn1ccnc1-c1c([S+]([O-])C(C)(C)C)cccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.32
SCN9A Q15858 2/20 0.32
RORC P51449 1/20 0.32
SCD O00767 1/20 0.32
OPRK1 P41145 2/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL9953831 0.82 OPRK1 (0.34) HSD11B1SCDOPRK1
SCHEMBL9952869 0.75 HTR2C (0.30)
SCHEMBL9952788 0.74 HSD11B1 (0.33) HSD11B1RORCSCDOPRK1BRD4
SCHEMBL9951940 0.74
SCHEMBL9953787 0.74 PTPN1 (0.40) HSD11B1RORCSCDOPRK1BRD4
SCHEMBL9952655 0.73 CNR2 (0.32) SCN9ABRD4
SCHEMBL9953917 0.71 CBLB (0.36) HSD11B1RORCSCDOPRK1BRD4
SCHEMBL7845615 0.69 HSD11B1 (0.60) HSD11B1BRD4
SCHEMBL9952936 0.69 NPC1 (0.35) HSD11B1SCDOPRK1
SCHEMBL9952781 0.68 OPRK1 (0.32) OPRK1

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
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed