SCHEMBL1360458

SCHEMBL1360458

O=[N+]([O-])c1ccc(-c2c(Br)cc(Br)cc2OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 2/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL1612471 0.75 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTMEN1
SCHEMBL31721274 0.75 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTMEN1
SCHEMBL28152654 0.73 AKR1C3 (0.45) AKR1C3AKR1C2ALDH1A1POLBRAB9A
SCHEMBL9367150 0.70 AKR1C3 (0.50) AKR1C3AKR1C2ALDH1A1MAPTMEN1
SCHEMBL1242136 0.70 PGR (0.52) PSDALDH1A1CA1CA2CA9
SCHEMBL13319608 0.69 CA1 (0.52) ALDH1A1CA1CA2CA9CA12
SCHEMBL15552078 0.68 ALDH1A1 (0.45) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL10916019 0.67 CYP1A2 (0.52) AKR1C3AKR1C2ALDH1A1MAPTMEN1
SCHEMBL30062398 0.67 HSPB1 (0.56) AKR1C3AKR1C2ALDH1A1MAPTMEN1
SCHEMBL397137 0.67 HSPB1 (0.56) AKR1C3AKR1C2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed