SCHEMBL29358148

SCHEMBL29358148

[2H]C1c2cc([N+](=O)[O-])ccc2N(C(C)=O)C1[2H]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ SNCA P37840 3/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL615623 0.80 NOTUM (0.61) MAPTSIRT2LMNADRD4HTR2C
SCHEMBL29360469 0.77 HSD17B3 (0.52) MAPTKDM4EHTTTHRB
SCHEMBL29359963 0.72 NOTUM (0.59) LMNAALDH1A1SMN1; SMN2
SCHEMBL7416582 0.72 KDM4E (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL28360647 0.72 NOTUM (0.56) MAPTKDM4ELMNASNCAALDH1A1
SCHEMBL2062468 0.72 HTR2C (0.46) MAPTKDM4ESIRT2LMNADRD4
SCHEMBL5711977 0.71 NOTUM (0.54) MAPTKDM4ELMNASNCAALDH1A1
SCHEMBL981641 0.71 NOTUM (0.60) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7749893 0.71 DRD4 (0.55) MAPTSIRT2LMNADRD4HTR2C
SCHEMBL27888907 0.71 HTR2C (0.58) MAPTSIRT2LMNADRD4HTR2C

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-2022016690-A1 LUCIFERASE SUBSTRATES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2022-01-27 — — WO disclosed
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