SCHEMBL25349371

SCHEMBL25349371

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)c(I)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.72
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 2/20 0.72
MAPK1 P28482 2/20 0.72
AURKA O14965 1/20 0.72
PDPK1 O15530 1/20 0.72
JAK2 O60674 1/20 0.72
GMNN O75496 1/20 0.72
ALDH1A1 P00352 1/20 0.72
EGFR P00533 1/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
LYN P07948 1/20 0.72
CHRM2 P08172 1/20 0.72
CYP3A4 P08684 1/20 0.72

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
SCHEMBL25350576 0.91 KMT2A (0.81) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL22032660 0.87 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL29617487 0.87 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL25349278 0.86 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL25349572 0.86 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL28898446 0.85 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL25349567 0.85 KMT2A (0.68) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL18341240 0.84 KMT2A (0.67) KMT2AMEN1MAPTSMN1; SMN2RAB9A
Niclosamide SCHEMBL6662409 0.84 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL25346525 0.84 KMT2A (0.81) KMT2AMEN1MAPTSMN1; SMN2RAB9A

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