SCHEMBL8343552

SCHEMBL8343552

COc1nc(Cc2ccccc2[N+](=O)[O-])nc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
TXNRD1 Q16881 1/20 0.40
PTPN1 P18031 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40
ENPP1 P22413 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8340981 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL29274259 0.75 ALDH1A1 (0.66) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL301933 0.75 ALDH1A1 (0.69) ALDH1A1HTTTSHRTDP1L3MBTL1
SCHEMBL9376368 0.74 TXNRD1 (0.40) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL10508062 0.73 AR (0.52) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL6178841 0.73 MAPK1 (0.51) ALDH1A1HTTTDP1L3MBTL1GAA
Ammonia Solution, Strong SCHEMBL10338964 0.73 ALDH1A1 (0.67) ALDH1A1HTTTSHRTDP1L3MBTL1
SCHEMBL10507124 0.73 AR (0.51) ALDH1A1HTTTSHRL3MBTL1KDM4E
SCHEMBL261866 0.71 ALDH1A1 (0.58) ALDH1A1HTTTSHRTDP1L3MBTL1
SCHEMBL10505643 0.70 AR (0.49) ALDH1A1TSHRKDM4EGAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885935-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1999-03-23 US disclosed
EP-0625970-B1 SULFONAMIDE HERBICIDES AGREVO UK LTD (GB) 1997-09-17 EP disclosed
US-5559081-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1996-09-24 US disclosed