SCHEMBL31530751

SCHEMBL31530751

NC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.69
MAPT P10636 9/20 0.67
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
LMNA P02545 3/20 0.67
HTT P42858 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
ALDH1A1 P00352 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
PHGDH O43175 2/20 0.66
CCR6 P51684 1/20 0.66
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 2/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
ADORA2A P29274 1/20 0.60
NPSR1 Q6W5P4 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
SCHEMBL30201915 0.89 HTT (0.55) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL15457450 0.89 MEN1 (0.77) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL1520466 0.88 KDM4E (0.64) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL7748744 0.88 KDM4E (0.64) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL13673670 0.86 KDM4E (0.66) KDM4EMAPTKMT2AMEN1LMNA
Water SCHEMBL6576230 0.86 KDM4E (0.62) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL9458239 0.84 KDM4E (0.67) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL15457451 0.84 KDM4E (0.69) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL21292769 0.84 PHGDH (0.82) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL21292771 0.84 PHGDH (0.82) KDM4EMAPTKMT2AMEN1LMNA

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-119908369-A Mosquito-repellent bracelet containing N, N-diethyl-2-hydroxy-2-phenylacetamide 北京斯瑞朗文生物科技有限公司 2025-05-02 CN claimed
CN-119908369-A Mosquito-repellent bracelet containing N, N-diethyl-2-hydroxy-2-phenylacetamide 北京斯瑞朗文生物科技有限公司 2025-05-02 CN disclosed