SCHEMBL30924972

SCHEMBL30924972

O=C(Nc1ncc([N+](=O)[O-])s1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.64
KMT2A Q03164 11/20 0.64
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
MAPT P10636 6/20 0.64
ALDH1A1 P00352 4/20 0.64
HTT P42858 4/20 0.64
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALPL P05186 2/20 0.63
CDK2 P24941 2/20 0.60
CCNE1 P24864 1/20 0.60
CDK5 Q00535 1/20 0.60
ATG4B Q9Y4P1 4/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
DYRK1A Q13627 1/20 0.59
HIPK4 Q8NE63 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
NSD2 O96028 1/20 0.59

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
SCHEMBL7067199 0.82 ALPL (0.85) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18541910 0.81 MEN1 (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057112 0.80 MEN1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19435594 0.80 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28654059 0.80 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19435593 0.80 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1804666 0.80 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL28870853 0.79 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL28870854 0.79 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL376089 0.78 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT

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-118978524-A Nitrazonit derivative and medical application thereof 绍兴君科臻元医药科技有限公司 2024-11-19 CN disclosed
CN-112480104-B Nitrazonit derivative and medical application thereof 绍兴君科臻元医药科技有限公司 2024-06-18 CN disclosed