SCHEMBL8695352

SCHEMBL8695352

COc1c(OS(C)(=O)=O)ccc(C(=O)C2C(=O)C3CCC(C3)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
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.30
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
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 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 0.80 PKM (0.36) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8697678 0.80 KMT2A (0.35) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8696566 0.79 PKM (0.56) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL998546 0.76 HPD (0.39) PKMKDM4EPOLBALDH1A1LMNA
SCHEMBL999603 0.70 HPD (0.42) KDM4EHTTALDH1A1LMNAKMT2A
SCHEMBL8697053 0.68 ENPP3 (0.35) KDM4EALDH1A1
SCHEMBL10591013 0.68 PKM (0.34) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL9738558 0.67 KMT2A (0.34) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL7829043 0.66 PKM (0.54) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL30105934 0.65 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801120-A HERBICIDES FOR CONTROLLING WEEDS SANDOZ LTD. (CH) 1998-09-01 US disclosed
US-5700762-A HERBICIDES SANDOZ LTD. (CH) 1997-12-23 US disclosed
US-5608101-A HERBICIDES NOVARTIS AG (CH) 1997-03-04 US disclosed
EP-0338992-A2 Substituted aryl and heteroaryl bicyclodiones SANDOZ AG (CH) 1989-10-25 EP disclosed