SCHEMBL7538746

SCHEMBL7538746

O=C1NC(=O)C(N=Cc2ccc([N+](=O)[O-])o2)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.54
TDP1 Q9NUW8 8/20 0.54
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.54
MITF O75030 2/20 0.54
NPC1 O15118 1/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP3A4 P08684 3/20 0.49
TP53 P04637 3/20 0.49
CYP1A2 P05177 3/20 0.49
ABCC4 O15439 1/20 0.49
TSHR P16473 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL8700028 0.85 SLC2A1 (0.47) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL2911361 0.81 MAPT (0.58) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL16268566 0.80 MAPT (0.57) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL2987018 0.76 KMT2A (0.49) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL2903627 0.73 KMT2A (0.52) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL16742056 0.71 MAPT (0.49) LMNATDP1ALDH1A1MAPTKDM4E
SCHEMBL13044215 0.71 MAPT (0.49) LMNATDP1ALDH1A1MAPTKDM4E
Nifuroxime SCHEMBL5025023 0.70 LMNA (0.76) LMNATDP1ALDH1A1MAPTKDM4E
Nifuroxime SCHEMBL465512 0.70 LMNA (0.76) LMNATDP1ALDH1A1MAPTKDM4E
Nifuroxime SCHEMBL465511 0.70 LMNA (0.76) LMNATDP1ALDH1A1MAPTKDM4E

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-1198467-A1 5-NITROFURFURAL DERIVATIVES NORSK HYDRO ASA (NO) 2002-04-24 EP disclosed
WO-2001002412-A1 5-NITROFURFURAL DERIVATIVES NORSK HYDRO ASA (NO) 2001-01-11 WO disclosed
WO-1997019930-A1 PROCESS FOR PRODUCING 1-AMINOHYDANTOIN LONZA AG (CH) 1997-06-05 WO disclosed