SCHEMBL6860892

SCHEMBL6860892

O=C(NNc1ccc(Br)cc1)c1c(F)cccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.61
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL13806890 0.84 GAA (0.62) GAAMAPTALDH1A1KDM4EPOLB
SCHEMBL2726739 0.83 HTT (0.65) GAASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8372493 0.78 CES2 (0.61) GAAKDM4EKMT2ALMNANPC1
SCHEMBL7605886 0.78 KMT2A (0.59) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL15597703 0.76 GAA (0.69) GAAMAPTALDH1A1GFERTDP1
SCHEMBL15597845 0.76 GAA (0.69) GAAMAPTALDH1A1KDM4EGFER
SCHEMBL10474111 0.75 GAA (0.53) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL27876858 0.74 CES2 (0.52) SMN1; SMN2MAPTKDM4EKMT2APOLB
SCHEMBL15597972 0.74 GAA (0.57) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8084094 0.74 GAA (0.51) GAAMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797574-B1 1,3,4-OXADIAZINE DERIVATIVES HAVING A PESTICIDE EFFECT BAYER CROPSCIENCE AG (DE) 2004-03-17 EP disclosed
US-6013804-A FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
US-5883091-A 1,3,4-oxadiazine derivatives having a pesticide effect BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0797574-A1 1,3,4-OXADIAZINE DERIVATIVES HAVING A PESTICIDE EFFECT BAYER AG (DE) 1997-10-01 EP disclosed
WO-1996018624-A1 1,3,4-OXADIAZINE DERIVATIVES HAVING A PESTICIDE EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO disclosed