SCHEMBL12950995

SCHEMBL12950995

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1OC(F)F)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KCNJ11 Q14654 4/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL18726194 0.93 NPC1 (0.33) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL12950918 0.90 NPC1 (0.33) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL13516090 0.89 RAB9A (0.35) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL998152 0.87 NPC1 (0.33) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL13516163 0.86 KCNJ11 (0.30) KCNJ11
SCHEMBL12951218 0.85 POLB (0.35) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL12950815 0.85 KCNJ11 (0.37) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL13515948 0.85 KCNJ11 (0.38) KCNJ11
SCHEMBL12950901 0.84 POLB (0.34) NPC1POLBRAB9ATDP1SMN1; SMN2
SCHEMBL13515970 0.83 NPC1 (0.33) NPC1POLBRAB9ATDP1SMN1; SMN2

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-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 — — WO disclosed
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