SCHEMBL28577822

SCHEMBL28577822

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
STAT3 P40763 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
PKM P14618 4/20 0.64
POLB P06746 2/20 0.59
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.55
MAPK9 P45984 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LRRK2 Q5S007 5/20 0.54

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
SCHEMBL28568192 0.88 NPC1 (0.66) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL25063120 0.87 STAT3 (0.57) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL28577825 0.82 STAT3 (0.62) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL12974167 0.80 NPC1 (0.78) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL29057176 0.79 STAT3 (0.59) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL2681128 0.78 STAT3 (1.00) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL22680776 0.78 NPC1 (1.00) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL881749 0.78 STAT3 (0.77) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL1804666 0.78 NPC1 (0.76) NPC1RAB9ASTAT3MEN1KMT2A
SCHEMBL28571041 0.76 STAT3 (0.77) NPC1RAB9ASTAT3MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456980-A Application of thiazole compounds in preparation of medicines for treating and preventing cancers 北京大学 2023-07-18 CN disclosed
WO-2022206084-A1 USE OF THIAZOLE COMPOUND IN PREPARATION OF DRUG FOR TREATING AND PREVENTING CANCER 北京大学 2022-10-06 WO disclosed
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