SCHEMBL25349482

SCHEMBL25349482

O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(Cl)c(F)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 5/20 0.60
RORC P51449 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 2/20 0.60
MAPK1 P28482 2/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 2/20 0.60
AURKA O14965 1/20 0.60
PDPK1 O15530 1/20 0.60
JAK2 O60674 1/20 0.60
GMNN O75496 1/20 0.60
ALDH1A1 P00352 1/20 0.60
EGFR P00533 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
LYN P07948 1/20 0.60
CHRM2 P08172 1/20 0.60

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
SCHEMBL25349278 0.93 KMT2A (0.70) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL25346243 0.90 RORC (0.60) KMT2AMEN1MAPTRORCSMN1; SMN2
Monoethanolamine SCHEMBL25348700 0.87 KMT2A (0.62) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL28898446 0.86 KMT2A (0.72) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL30100393 0.85 MEN1 (0.78) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL8057066 0.85 MEN1 (0.78) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL5508842 0.85 MAPT (0.60) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL8054245 0.83 RORC (0.70) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL8060230 0.83 RAB9A (0.60) KMT2AMEN1MAPTRORCSMN1; SMN2
SCHEMBL8065195 0.82 TAS1R3 (0.61) KMT2AMEN1MAPTRORCSMN1; SMN2

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
WO-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed