SCHEMBL8090329

SCHEMBL8090329

O=C1CSCN1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.51
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SCN2A Q99250 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL11819105 0.77 HPN (0.55) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL8096492 0.76 MAPT (0.64) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL8089620 0.76 HPN (0.48) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL8099171 0.75 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL8096930 0.75 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1
SCHEMBL8096511 0.75 L3MBTL1 (0.53) MEN1MAPTKMT2A
SCHEMBL8099139 0.75 MAPT (0.36) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL3223479 0.75 KMT2A (0.61) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL85661 0.73 KMT2A (0.57) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL6031714 0.73 ALDH1A1 (0.59) MEN1MAPTKMT2AALDH1A1KDM4E

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
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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed