SCHEMBL10420193

SCHEMBL10420193

O=C(Nc1ccc([N+](=O)[O-])cc1Br)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MAPT P10636 5/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL10420232 0.96 GAA (0.50) GAAMAPTPDK1PDK2PDK3
SCHEMBL10421624 0.96 GAA (0.52) GAAMAPTPDK1PDK2PDK3
SCHEMBL10420627 0.95 CA1 (0.51) GAAMAPTPDK1PDK2PDK3
SCHEMBL10420195 0.94 GAA (0.50) GAAMAPTPDK1PDK2PDK3
SCHEMBL9870149 0.93 GAA (0.54) GAAMAPTPDK1PDK2PDK3
SCHEMBL10420553 0.93 CA1 (0.51) GAAMAPTPDK1PDK2PDK3
SCHEMBL10421830 0.92 GAA (0.51) GAAMAPTPDK1PDK2PDK3
SCHEMBL10421020 0.85 GAA (0.54) GAAMAPTPDK1PDK2PDK3
SCHEMBL10421838 0.85 GAA (0.54) GAAMAPTPDK1PDK2PDK3
SCHEMBL10420212 0.84 GAA (0.53) GAAMAPTPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US claimed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US disclosed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed