SCHEMBL16123448

SCHEMBL16123448

COc1nc(N)c(N)c(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TSHR P16473 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
SCHEMBL16097791 0.77 MEN1 (0.39) HSD17B10LMNAMAPTTSHR
SCHEMBL16123449 0.74 MAPT (0.37) LMNAMAPTMAPK1TSHR
SCHEMBL16123551 0.72 HSP90AA1 (0.32) LMNAMAPT
SCHEMBL10447738 0.70 ALDH1A1 (0.37) LMNA
SCHEMBL9383601 0.70 CCNA2 (0.35) MAPT
SCHEMBL31224694 0.68 ALDH1A1 (0.30) LMNATSHR
SCHEMBL6257885 0.68 HSD17B10 (0.33) HSD17B10LMNAMAPTMAPK1TSHR
SCHEMBL6257568 0.67 TSHR (0.34) HSD17B10LMNAMAPTMAPK1TSHR
SCHEMBL15938384 0.65 AURKA (0.50) HSD17B10
SCHEMBL5998835 0.65 LMNA (0.41) HSD17B10LMNAMAPTMAPK1TSHR

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-2014149208-A1 PURINE-BASED PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
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