SCHEMBL12786369

SCHEMBL12786369

COC(=O)c1nc(-c2ccc(I)c(OC)c2F)nc2[nH]cc(C)c12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.34
▸ HSP90AB1 P08238 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ LIMK1 P53667 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
SCHEMBL1654718 0.87 TAS1R3 (0.34) DYRK1AHSP90AB1AXLKDM4EALDH1A1
SCHEMBL11918051 0.84 DYRK1A (0.38) DYRK1AHSP90AB1
SCHEMBL11903334 0.80 JAK3 (0.38) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11902200 0.79 MEP1B (0.34) —
SCHEMBL1654720 0.79 KMO (0.41) DYRK1AHSP90AB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11903110 0.78 ROCK2 (0.31) KDM4EALDH1A1HSD17B10LIMK1
SCHEMBL11903222 0.76 SMN1; SMN2 (0.34) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11902410 0.75 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL11903387 0.75 DHODH (0.36) SMN1; SMN2RAB9AHSD17B10
SCHEMBL11902933 0.75 SMN1; SMN2 (0.34) KDM4EALDH1A1SMN1; 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-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
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