SCHEMBL28577825

SCHEMBL28577825

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.62
MEN1 O00255 11/20 0.61
KMT2A Q03164 11/20 0.61
NPC1 O15118 10/20 0.61
RAB9A P51151 10/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
PKM P14618 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
TP53 P04637 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56

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
SCHEMBL29057176 0.90 STAT3 (0.59) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL17666851 0.85 STAT3 (0.59) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL17666852 0.85 STAT3 (0.59) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL28577822 0.82 NPC1 (0.64) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL17677414 0.81 NPC1 (0.67) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL28315193 0.81 KMT2A (0.61) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL25063120 0.80 STAT3 (0.57) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL29056922 0.80 STAT3 (0.77) STAT3MEN1KMT2ANPC1RAB9A
SCHEMBL11154311 0.78 STAT3 (0.79) STAT3MEN1KMT2ANPC1RAB9A
Tizoxanide SCHEMBL375440 0.77 STAT3 (1.00) STAT3MEN1KMT2ANPC1RAB9A

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
CN-112957358-A Application of nitazoxanide and derivatives thereof in preparing medicines for preventing and treating bone destructive diseases 北京大学第三医院(北京大学第三临床医学院) 2021-06-15 CN disclosed