SCHEMBL14221817

SCHEMBL14221817

Cc1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 3/20 0.53
HPN P05981 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 2/20 0.48
SCN2A Q99250 1/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4768036 0.80 HPN (0.47) MAPTGAAHPNMEN1KMT2A
SCHEMBL4765776 0.78 ALDH1A1 (0.44) MAPTGAAHPNMEN1KMT2A
SCHEMBL10923940 0.78 PDE4B (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4748711 0.72 MAPT (0.57) MAPTGAAHPNMEN1KMT2A
SCHEMBL17172464 0.70 MAPT (0.57) MAPTGAAHPNMEN1KMT2A
SCHEMBL6756946 0.70 FGFR1 (0.50) MAPTHPNMEN1KMT2AALDH1A1
SCHEMBL3970330 0.70 ALDH1A1 (0.57) MAPTGAAHPNMEN1KMT2A
SCHEMBL31739259 0.70 ALDH1A1 (0.57) MAPTGAAHPNMEN1KMT2A
SCHEMBL5328812 0.69 HPN (0.58) MAPTGAAHPNMEN1KMT2A
SCHEMBL25250554 0.69 HPN (0.54) MAPTGAAHPNMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed