SCHEMBL16956993

SCHEMBL16956993

[CH2]c1ccc(OC(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSPB1 P04792 4/20 0.38
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALDH3A1 P30838 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 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
SCHEMBL27914911 0.87 TSHR (0.38) MEN1KMT2AMAPTHTTLMNA
SCHEMBL16958967 0.83 PDK1 (0.57) PDK1MEN1KMT2AMAPTLMNA
SCHEMBL11065023 0.81 MEN1 (0.46) PDK1MEN1KMT2AMAPTHTT
SCHEMBL31540262 0.81 HSPB1 (0.51) PDK1MEN1KMT2AMAPTHTT
SCHEMBL15857842 0.80 S100A4 (0.42) PDK1MEN1KMT2AMAPTHTT
SCHEMBL14553750 0.80 TSHR (0.59) PDK1MEN1KMT2AMAPTLMNA
SCHEMBL20855591 0.80 ALDH1A1 (0.53) PDK1MEN1KMT2AMAPTHTT
SCHEMBL16953832 0.80 TUBB4A (0.43) PDK1MEN1KMT2AMAPTHTT
SCHEMBL16953830 0.80 PDK1 (0.38) PDK1MEN1KMT2AMAPTHTT
SCHEMBL16959067 0.78 PDK1 (0.43) PDK1MEN1KMT2AMAPTHTT

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