SCHEMBL28898446

SCHEMBL28898446

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
MAPK1 P28482 2/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 2/20 0.72
ALDH1A1 P00352 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
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
SCHEMBL25349278 0.94 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL25350576 0.88 KMT2A (0.81) KMT2AMEN1MAPTSMN1; SMN2NPC1
Monoethanolamine SCHEMBL25348700 0.88 KMT2A (0.62) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL29617487 0.87 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL22032660 0.87 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL25349482 0.86 KMT2A (0.60) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL28467597 0.86 KMT2A (0.67) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL29617491 0.86 KMT2A (0.78) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8041670 0.86 KMT2A (0.78) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL25349371 0.85 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518147-A Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor 华东理工大学 2020-08-11 CN claimed
CN-111518147-A Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor 华东理工大学 2020-08-11 CN disclosed