SCHEMBL8433110

SCHEMBL8433110

NC(=O)NN=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
MAOB P27338 1/20 0.75
CTDSP1 Q9GZU7 1/20 0.69
HTT P42858 1/20 0.65
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
GAA P10253 1/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
HIF1A Q16665 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL25243618 1.00 MAPT (0.75) MAPTMAOBCTDSP1HTTRAB9A
SCHEMBL6165886 0.92 SCN4A (0.67) MAPTMAOBCTDSP1HTTRAB9A
SCHEMBL11887674 0.86 MAPT (0.73) MAPTMAOBCTDSP1HTTRAB9A
SCHEMBL28646688 0.84 CTDSP1 (0.69) MAPTMAOBCTDSP1HTTRAB9A
Acetic Acid SCHEMBL915951 0.83 MAPT (0.64) MAPTMAOBCTDSP1HTTRAB9A
Acetic Acid SCHEMBL915952 0.83 MAPT (0.64) MAPTMAOBCTDSP1HTTRAB9A
SCHEMBL19449716 0.82 CTDSP1 (0.71) MAPTMAOBCTDSP1HTTRAB9A
SCHEMBL8433064 0.81 CTDSP1 (0.66) MAPTMAOBCTDSP1HTTRAB9A
Hydrochloric Acid SCHEMBL17560817 0.81 CTDSP1 (0.69) MAPTMAOBCTDSP1HTTRAB9A
Acetic Acid SCHEMBL7129467 0.81 MAPT (0.61) MAPTMAOBCTDSP1HTTRAB9A

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
EP-4103534-A1 COMPOSITIONS FOR ENHANCING NITROGEN STABILIZERS AND METHODS AND USES THEREOF Verdesian Life Sciences U.S., LLC (US) 2022-12-21 EP disclosed
US-5919954-A CYCLIZATION OF CHEMICAL INTERMEDIATES; HIGH ENANTIOMORPHIC PURITY ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed