SCHEMBL28033306

SCHEMBL28033306

O=C(Cl)c1cn(-c2cccc(Cl)c2)nn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.60
FLT3 P36888 1/20 0.54
GSK3B P49841 1/20 0.54
USP30 Q70CQ3 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ESRRA P11474 5/20 0.46
KMT2A Q03164 2/20 0.45
STS P08842 1/20 0.45
KCNMA1 Q12791 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44

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
SCHEMBL27983551 0.89 NOTUM (0.61) NOTUMFLT3GSK3BUSP30NPC1
SCHEMBL616473 0.88 NOTUM (0.60) NOTUMFLT3GSK3BUSP30KEAP1
SCHEMBL28033861 0.85 NOTUM (0.57) NOTUMKEAP1NPC1RAB9AESRRA
SCHEMBL23153549 0.83 ESRRA (0.59) NOTUMNPC1ESRRA
SCHEMBL21338835 0.82 NOTUM (0.55) NOTUMFLT3GSK3BUSP30KEAP1
SCHEMBL28033305 0.82 CA1 (0.57) NOTUMFLT3GSK3BNPC1RAB9A
SCHEMBL17444789 0.80 NOTUM (0.56) NOTUMFLT3GSK3BUSP30NPC1
SCHEMBL14692525 0.79 POLB (0.59) NOTUMUSP30ESRRA
SCHEMBL30403029 0.79 NOTUM (0.54) NOTUMFLT3GSK3BUSP30NPC1
SCHEMBL17444785 0.78 USP30 (0.57) NOTUMFLT3GSK3BUSP30NPC1

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-104926738-A Application of 1,2,3-triazole-4-hydrazide derivatives to preparation of agricultural bactericide UNIV NANJING AGRICULTURAL 2015-09-23 CN disclosed