SCHEMBL9738378

SCHEMBL9738378

COc1c(OS(C)(=O)=O)ccc(C(=O)C2C(=O)C(C)(C)OC(C)(C)C2=O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
PTPN1 P18031 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCL1 Q07820 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 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
SCHEMBL8695352 0.80 PKM (0.36) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8696566 0.79 PKM (0.56) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL9738558 0.78 KMT2A (0.34) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL9739114 0.75 HPD (0.38) PKMKDM4EPOLBALDH1A1LMNA
SCHEMBL10591013 0.75 PKM (0.34) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8697678 0.69 KMT2A (0.35) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL9871935 0.66 SMN1; SMN2 (0.48) POLBLMNACYP3A4CYP2C19
SCHEMBL997958 0.66 HPD (0.39) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL30105934 0.66 PKM (0.69) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL621983 0.66 PKM (0.69) PKMKDM4EPOLBCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3120202-A None JP disclosed
JP-2006426-A None JP disclosed
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
JP-H03120202-A HERBICIDE FOR PADDY FIELD SANDOZ AG 1991-05-22 JP disclosed
JP-H026426-A IMPROVEMENT RELATED TO ORGANIC COMPOUND SANDOZ AG 1990-01-10 JP disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed