SCHEMBL9836360

SCHEMBL9836360

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 10/20 0.47
MAPK1 P28482 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 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
SCHEMBL9836972 0.88 MAPT (0.50) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9835831 0.85 SMN1; SMN2 (0.57) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9836886 0.85 ALDH1A1 (0.45) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9836565 0.85 MAPT (0.49) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9834545 0.85 ALDH1A1 (0.48) HTTMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9835388 0.82 KMT2A (0.48) HTTMAPTMAPK1ALDH1A1GAA
SCHEMBL9833790 0.81 SMN1; SMN2 (0.56) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9837321 0.80 LMNA (0.41) HTTPKMMAPTMAPK1ALDH1A1
SCHEMBL9836414 0.77 KMT2A (0.50) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL11316531 0.76 ALDH1A1 (0.54) HTTPKMMAPTMAPK1ALDH1A1

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 3 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