SCHEMBL27792500

SCHEMBL27792500

CNc1cc(NC)c(Br)c(NC)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HTR6 P50406 2/20 0.31

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
SCHEMBL27461874 0.74 TSHR (0.35) TSHRHTR6
SCHEMBL9876231 0.74 TSHR (0.35) TSHRHTR6
SCHEMBL27464483 0.72 HTR6 (0.36) TSHRHTR6
SCHEMBL10965241 0.72 ALDH1A1 (0.34) TSHRHTR6
SCHEMBL879760 0.72 TSHR (0.33) TSHRHTR6
SCHEMBL27583259 0.72 TSHR (0.33) TSHRHTR6
SCHEMBL1783525 0.71 TSHR (0.47) TSHRHTR6
SCHEMBL1109742 0.71 HTR6 (0.44) TSHRHTR6
SCHEMBL28529898 0.69 MAPT (0.44) TSHRHTR6
Iodide SCHEMBL31463955 0.68 TSHR (0.44) TSHRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855225-B Tricyclic bridged cyclopentanedione derivatives as herbicides SYNGENTA LTD 2014-01-08 CN disclosed
CN-102428064-A Novel pesticide SYNGENTA LTD 2012-04-25 CN disclosed
CN-101855225-A Tricyclic bridged cyclopentanedione derivatives as weedicide SYNGENTA LTD 2010-10-06 CN disclosed