SCHEMBL3998980

SCHEMBL3998980

O=[N+]([O-])c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1-c1nc[nH]n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4968182 0.85 PDE3B (0.31)
SCHEMBL472625 0.82 LMNA (0.42) HPGDSMN1; SMN2
SCHEMBL472288 0.82 MAPT (0.37)
SCHEMBL472629 0.81 MAPT (0.34) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL739419 0.81 USP2 (0.32)
Ammonia Solution, Strong SCHEMBL27964641 0.80 MAPT (0.33) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL472676 0.79 NCOA1 (0.33) HPGDSMN1; SMN2
SCHEMBL19723063 0.79 USP2 (0.31)
SCHEMBL3116206 0.79 VCAM1 (0.44) HPGDSMN1; SMN2
SCHEMBL737953 0.79 NPC1 (0.35) NPC1HPGDRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed