SCHEMBL9835388

SCHEMBL9835388

C=C(C)C(OC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TGM2 P21980 1/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PABPC1 P11940 1/20 0.43

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
SCHEMBL9837321 0.87 LMNA (0.41) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL9833790 0.85 SMN1; SMN2 (0.56) KMT2AMEN1MAPTLMNANPC1
SCHEMBL9836837 0.82 TDP1 (0.46) MAPTLMNANPC1SMN1; SMN2TGM2
SCHEMBL9836414 0.82 KMT2A (0.50) KMT2AMEN1MAPTLMNANPC1
SCHEMBL9836360 0.82 HTT (0.48) KMT2AMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL9836379 0.81 SMN1; SMN2 (0.61) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL9836424 0.81 MAPT (0.52) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL9835566 0.81 ALDH1A1 (0.44) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL9836146 0.81 GAA (0.44) KMT2AMEN1MAPTLMNANPC1
SCHEMBL9836972 0.81 MAPT (0.50) KMT2AMEN1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed