SCHEMBL6272012

SCHEMBL6272012

O=C1[N]NN(c2ccc(OC(F)(F)F)c(Cl)c2)N1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.40
KMO O15229 2/20 0.37
PDE2A O00408 1/20 0.36
SLC1A5 Q15758 2/20 0.36
NOTUM Q6P988 2/20 0.36
GRIN2B Q13224 2/20 0.35
SCN9A Q15858 1/20 0.35
S1PR2 O95136 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL6274900 0.78 AR (0.49) NOTUM
SCHEMBL6270227 0.77 XDH (0.40) NOTUMGRIN2B
SCHEMBL5905991 0.71 NOTUM (0.38) S100A9KMOPDE2ASLC1A5NOTUM
SCHEMBL6274944 0.69 ALOX5 (0.45) NOTUM
SCHEMBL10996694 0.68 AR (0.63)
SCHEMBL28849647 0.67 MRGPRX4 (0.44) SLC1A5NOTUM
SCHEMBL29042563 0.67 ADRB1 (0.59)
SCHEMBL30495910 0.67 ADRB1 (0.59)
SCHEMBL29699492 0.66 MRGPRX4 (0.44) NOTUM
SCHEMBL27665879 0.66 KMO (0.43) S100A9KMOSLC1A5GRIN2BSCN9A

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-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed