SCHEMBL20162383

SCHEMBL20162383

C=CC(=O)Oc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HIF1A Q16665 1/20 0.46
HSPB1 P04792 4/20 0.43
TGM2 P21980 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 4/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL27361987 0.84 ERN1 (0.47) ALDH1A1TGM2KMT2AMEN1MAPT
SCHEMBL28713221 0.83 ALDH1A1 (0.44) ALDH1A1HIF1AHSPB1KMT2AMEN1
SCHEMBL28376956 0.82 ALDH1A1 (0.49) ALDH1A1TGM2KMT2AMAPTLMNA
SCHEMBL7126316 0.81 GPR35 (0.47) ALDH1A1TGM2KMT2AMEN1GAA
SCHEMBL4655499 0.81 TTR (0.49) ALDH1A1HIF1AHSPB1KMT2AMEN1
SCHEMBL5505279 0.80 CYP4F2 (0.54) ALDH1A1HIF1AHSPB1KMT2AMEN1
SCHEMBL15546554 0.80 ALDH1A1 (0.50) ALDH1A1HIF1AHSPB1KMT2AMEN1
SCHEMBL10180753 0.78 CES2 (0.41) TGM2KMT2AMEN1MAPTHTT
SCHEMBL20424921 0.77 ALDH1A1 (0.51) ALDH1A1HIF1AHSPB1KMT2AMAPT
SCHEMBL27590300 0.77 ALDH1A1 (0.46) ALDH1A1HIF1AHSPB1KMT2AMEN1

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-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed