SCHEMBL16952073

SCHEMBL16952073

[CH2]C(CO)c1cc([N+](=O)[O-])ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PDE4B Q07343 3/20 0.37
▸ TTR P02766 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL16959952 0.86 CYP19A1 (0.46) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16956291 0.83 TDP1 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL16961003 0.83 AKR1C3 (0.41) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16952486 0.82 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16960064 0.82 MAPT (0.44) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16956126 0.81 MEN1 (0.44) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16961858 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL16959982 0.78 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16951816 0.77 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL16961608 0.77 HTT (0.33) MAPTKMT2AHTTLMNASMN1; SMN2

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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