SCHEMBL17459478

SCHEMBL17459478

C=COC(=O)N1Cc2ccccc2OC(c2cc(Br)cs2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17468913 0.81 CYP19A1 (0.38) ALDH1A1MAPT
SCHEMBL17469136 0.78 SLC6A2 (0.32)
SCHEMBL17469009 0.77 ABHD6 (0.34) ALDH1A1LMNAMAPT
SCHEMBL17469002 0.77 ABHD6 (0.36) ALDH1A1MAPT
SCHEMBL17459385 0.77 TAS1R3 (0.38)
SCHEMBL17468800 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17468801 0.77 POLB (0.36) ALDH1A1MAPT
SCHEMBL17468799 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1
SCHEMBL17468798 0.76 TAS1R3 (0.38) ALDH1A1
SCHEMBL17469012 0.75 NAMPT (0.41)

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed