SCHEMBL4336912

SCHEMBL4336912

O=C1c2cc([N+](=O)[O-])ccc2CCC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TDP2 O95551 1/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRC P08575 3/20 0.45
S100A4 P26447 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL3982285 0.83 CA1 (0.47) CA1CA2CA7CA9MAPT
SCHEMBL22833739 0.81 PNMT (0.45) CA1CA2CA9MAPTTDP2
SCHEMBL29506344 0.81 PNMT (0.45) CA1CA2CA9MAPTTDP2
SCHEMBL8778972 0.81 HTR2A (0.49) CA1CA2CA7CA9MAPT
SCHEMBL16559365 0.79 MAPT (0.61) CA1CA2CA7CA9MAPT
SCHEMBL6841697 0.77 ADRA2A (0.47) CA1CA2CA7CA9MAPT
SCHEMBL2061978 0.74 PNMT (0.53) MAPTTDP2MEN1KMT2ALMNA
SCHEMBL568785 0.74 BAZ1A (0.58) CA1CA2CA7CA9MAPT
SCHEMBL30954730 0.74 BAZ1A (0.58) CA1CA2CA7CA9MAPT
SCHEMBL6840810 0.73 SIGMAR1 (0.51) CA1CA2CA7CA9MAPT

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
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed