SCHEMBL28611133

SCHEMBL28611133

Cc1ccccc1OP(=O)(ON=[N+]=[N-])Oc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL29405980 0.78 KDM4E (0.50) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL35762 0.78 KDM4E (0.50) KDM4EMAPTMEN1KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL26105449 0.77 KDM4E (0.46) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28611132 0.77 MAPT (0.42) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28283656 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27310412 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27350929 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27690512 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27780550 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27296965 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305160-B Synthesis method of copper-catalyzed phosphate mixed ester compound 西北大学 2021-07-23 CN claimed
CN-110305160-B Synthesis method of copper-catalyzed phosphate mixed ester compound 西北大学 2021-07-23 CN disclosed