SCHEMBL16956989

SCHEMBL16956989

[CH2]C(CO)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
HPD P32754 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 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
SCHEMBL16961929 0.81 ALDH1A1 (0.47) MEN1KMT2APKMHPDALDH1A1
SCHEMBL16956549 0.81 ATM (0.50) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16960041 0.80 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTTXNRD1
SCHEMBL16956853 0.79 ALDH1A1 (0.42) MEN1KMT2APKMHPDALDH1A1
SCHEMBL16959573 0.78 MAPK1 (0.50) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL16962072 0.78 S100A4 (0.37) MEN1KMT2APKMMAPK1CYP3A4
SCHEMBL16959338 0.78 TSHR (0.51) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL16960002 0.75 ALDH1A1 (0.50) MEN1KMT2APKMHPDALDH1A1
SCHEMBL16957264 0.75 PDE2A (0.42) CYP1A2CYP2C9CYP2C19
SCHEMBL16952607 0.74 GRM8 (0.48) MEN1KMT2AALDH1A1MAPK1AKR1C3

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