SCHEMBL13075005

SCHEMBL13075005

Bc1nc(-c2cncc(F)c2)sc1N(C)C(=O)CC[S+](C)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.32
DYRK1A Q13627 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL13048520 0.92 PIK3CG (0.33) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL13047674 0.91 PIK3CG (0.32) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL13048107 0.89 PIK3CG (0.31) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL13048698 0.89 PIK3CG (0.31) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL14788232 0.87 PIK3CG (0.31) PIK3CGDYRK1A
SCHEMBL13074683 0.83 PIK3CG (0.33) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL13075002 0.82 LIPG (0.34) PIK3CGDYRK1ATRPM8PTGDR2
SCHEMBL13074606 0.82 CYP1A2 (0.41)
SCHEMBL3749533 0.81 HDAC6 (0.31) PIK3CG
SCHEMBL13048068 0.81 TRPM8 (0.32) PIK3CGDYRK1ATRPM8PTGDR2

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
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed