SCHEMBL9738558

SCHEMBL9738558

COc1c(OS(C)(=O)=O)ccc(C(=O)OC2=CC(=O)C(C)(C)OC2(C)C)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL9738378 0.78 PKM (0.36) KMT2APKMKDM4EPOLBCTDSP1
SCHEMBL8696566 0.76 PKM (0.56) KMT2APKMSMN1; SMN2KDM4EPOLB
SCHEMBL8697678 0.74 KMT2A (0.35) KMT2APKMSMN1; SMN2KDM4EPOLB
SCHEMBL10591013 0.72 PKM (0.34) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8695352 0.67 PKM (0.36) KMT2APKMKDM4EPOLBCTDSP1
SCHEMBL9738984 0.63 KMT2A (0.33) KMT2AKDM4EALDH1A1MEN1
SCHEMBL621983 0.63 PKM (0.69) KMT2APKMSMN1; SMN2KDM4EPOLB
SCHEMBL30105934 0.63 PKM (0.69) KMT2APKMSMN1; SMN2KDM4EPOLB
SCHEMBL28114768 0.62 ALDH1A1 (0.53) KMT2APKMSMN1; SMN2KDM4EPOLB
SCHEMBL28506852 0.62 PKM (0.48) KMT2APKMSMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed