SCHEMBL8993428

SCHEMBL8993428

CCOC(=O)c1cc(Oc2ncc(Cl)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 4/20 0.45
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP10 Q14694 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 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
SCHEMBL10675388 0.82 TDP1 (0.57) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL21707869 0.81 MAPT (0.58) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL11088590 0.80 MAPT (0.46) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL9852597 0.80 TDP1 (0.78) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL10785520 0.80 MAPT (0.52) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL10662490 0.80 TDP1 (0.60) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL267821 0.79 MAPT (0.65) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL4268650 0.79 ALDH1A1 (0.49) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL10789604 0.79 USP10 (0.57) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL10790681 0.79 SMN1; SMN2 (0.51) TDP1MAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315889-B1 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-07-17 EP disclosed
US-5418212-A Alkanoic acid amide derivative or its salt, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-05-23 US disclosed
US-5411934-A Alkanoic acid amide derivative or its salt, process for producing the same and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-05-02 US disclosed
EP-0514551-A1 ALKANAMIDE DERIVATIVE, ITS SALT, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-11-25 EP disclosed
US-4923501-A COTTON; NONPHYTOTOXIC KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-05-08 US disclosed
EP-0315889-A2 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-17 EP disclosed
US-4427437-A PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1984-01-24 US disclosed
EP-0001187-B1 2-PHENOXY-PYRIMIDINES AND THEIR USE AS PESTICIDES ICI AUSTRALIA LIMITED (AU) 1983-12-07 EP disclosed
EP-0001187-A1 2-phenoxy-pyrimidines and their use as pesticides ICI AUSTRALIA LIMITED (AU) 1979-03-21 EP disclosed