SCHEMBL9833790

SCHEMBL9833790

C=C(C)C(OC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 4/20 0.52
POLB P06746 3/20 0.52
DDX3X O00571 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 3/20 0.51
HSP90AA1 P07900 2/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
NLRP1 Q9C000 1/20 0.51
LMNA P02545 2/20 0.49
BLM P54132 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47

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 0.88 LMNA (0.41) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL9835388 0.85 KMT2A (0.48) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL9837242 0.81 KDM4E (0.48) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL9836414 0.81 KMT2A (0.50) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL9836360 0.81 HTT (0.48) SMN1; SMN2KMT2AMAPTHTTPOLB
SCHEMBL799907 0.80 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL9833996 0.80 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL9836972 0.80 MAPT (0.50) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL9835831 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL5892586 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1MAPTHTT

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