SCHEMBL8700816

SCHEMBL8700816

O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 9/20 0.41
SRC P12931 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 7/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
NR4A1 P22736 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8697707 0.80 TXNRD1 (0.48) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL8693826 0.76 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL6593403 0.75 MAPT (0.56) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL8694999 0.75 ALDH1A1 (0.39) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1446429 0.73 MAPT (0.57) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL998698 0.73 HPD (0.42) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL999603 0.73 HPD (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL3327817 0.72 MAPT (0.56) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL15918696 0.72 MAPT (0.60) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL998546 0.70 HPD (0.39) MAPTMEN1KMT2APOLBALDH1A1

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