SCHEMBL8089624

SCHEMBL8089624

O=C1NC(c2cccc([N+](=O)[O-])c2)SC1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8096825 0.83 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8090455 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL26304201 0.74 TDP1 (0.56) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8089861 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL8090331 0.73 TDP1 (0.52) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8103622 0.73 ALDH1A1 (0.46) ALDH1A1MAPTTSHRHPGD
SCHEMBL19471193 0.69 TDP1 (0.57) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL10840857 0.69 TSHR (0.59) TDP1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL9389991 0.68 ALDH1A1 (0.40) ALDH1A1MAPTTSHRHPGD
SCHEMBL31406400 0.66 TDP1 (0.53) TDP1ALDH1A1KMT2AKDM4EMAPT

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
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed