SCHEMBL8697707

SCHEMBL8697707

O=C(c1ccc2c(c1[N+](=O)[O-])OCO2)C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
F10 P00742 1/20 0.32
CDK2 P24941 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.30
MCL1 Q07820 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPD P32754 1/20 0.30
AOC3 Q16853 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8700816 0.80 MAPT (0.43) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL29901773 0.77 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL8698297 0.76 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL29901717 0.71 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL8693826 0.68 SMN1; SMN2 (0.46) KMT2AMEN1RAB9AHPDSMN1; SMN2
SCHEMBL998698 0.68 HPD (0.42) KMT2AMEN1RAB9ACDK2MAPT
SCHEMBL8695352 0.68 PKM (0.36) KMT2APOLBL3MBTL1LMNAHTT
SCHEMBL999603 0.66 HPD (0.42) KMT2AMEN1RAB9AGAAMAPT
SCHEMBL5234315 0.66 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL10277715 0.66 TXNRD1 (0.47) TXNRD1TXNRD3TXNRD2KMT2AMEN1

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