SCHEMBL9834545

SCHEMBL9834545

C=C(C)C(OC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KCNMA1 Q12791 1/20 0.43
MAPK1 P28482 2/20 0.42
PHGDH O43175 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9836360 0.85 HTT (0.48) ALDH1A1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL9836565 0.81 MAPT (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9836227 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL9835398 0.80 SMN1; SMN2 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9835088 0.80 HTT (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL9837145 0.80 KMT2A (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3659889 0.78 KMT2A (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL9836414 0.78 KMT2A (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9835388 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9835831 0.77 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2KCNMA1

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 5 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
CN-86108416-A Oxazolidinedione derivative, process for producing the same, and herbicide containing the same 1987-07-29 CN disclosed