SCHEMBL8090331

SCHEMBL8090331

O=C1CSC(c2cccc([N+](=O)[O-])c2)N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27284341 0.79 SMN1; SMN2 (0.41) TDP1ALDH1A1GFERKMT2APOLB
SCHEMBL27293942 0.79 GFER (0.41) TDP1ALDH1A1GFERKMT2APOLB
SCHEMBL8089828 0.76 SMN1; SMN2 (0.54) ALDH1A1GFERKMT2AGAAMAPT
SCHEMBL19471193 0.76 TDP1 (0.57) TDP1ALDH1A1KMT2AKDM4EGAA
SCHEMBL8099174 0.76 GFER (0.52) ALDH1A1GFERKMT2AKDM4EGAA
SCHEMBL26304201 0.75 TDP1 (0.56) TDP1ALDH1A1KMT2AKDM4EGAA
SCHEMBL8096825 0.73 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGAA
SCHEMBL8089624 0.73 TDP1 (0.48) TDP1ALDH1A1KMT2APOLBKDM4E
SCHEMBL8103620 0.72 GFER (0.49) ALDH1A1GFERGAAMAPTSMN1; SMN2
SCHEMBL8104985 0.72 GFER (0.49) GFERGAASMN1; SMN2

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 5 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
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed