SCHEMBL8096821

SCHEMBL8096821

O=C1C(O)SCN1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
SCN2A Q99250 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8089620 0.84 HPN (0.48) HPNMEN1KMT2AMAPTSCN2A
SCHEMBL8090389 0.79 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8097531 0.77 FAAH (0.42) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8105384 0.77 PLK1 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8097433 0.76 MEN1 (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8089994 0.75 MGLL (0.45) KMT2AMAPTLMNA
SCHEMBL8090045 0.74 NTMT1 (0.38) HPNMEN1KMT2AMAPTKDM4E
SCHEMBL8099371 0.74 NSD2 (0.50)
SCHEMBL8090329 0.73 HPN (0.51) HPNMEN1KMT2AMAPTSCN2A
SCHEMBL11836622 0.72 HPN (0.57) HPNMEN1KMT2AMAPTSCN2A

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
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed