SCHEMBL8089620

SCHEMBL8089620

O=C1C(Cl)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 3/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8096821 0.84 HPN (0.48) HPNMEN1KMT2AMAPTSCN2A
SCHEMBL8105245 0.80 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8096938 0.77 FADS1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8089618 0.77 FAAH (0.42) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL8097791 0.77 L3MBTL1 (0.45) KMT2AMAPTHTTALDH1A1
SCHEMBL8090453 0.77 ATM (0.48) MEN1KMT2AALDH1A1
SCHEMBL8090329 0.76 HPN (0.51) HPNMEN1KMT2AMAPTSCN2A
SCHEMBL8103224 0.76 MEN1 (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8097196 0.75 MGLL (0.45) KMT2AMAPTALDH1A1
SCHEMBL8103621 0.74 NSD2 (0.50)

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