SCHEMBL9217003

SCHEMBL9217003

CC(=O)NCCS(=O)(=O)c1ccc(N=Nc2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.50
CA12 O43570 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.44
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CA1 P00915 1/20 0.42
KMT2A Q03164 4/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
AMY1A P0DUB6 1/20 0.40

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
SCHEMBL9214290 0.91 LOX (0.57) LOXCA12CA2CA9MAPT
SCHEMBL9750165 0.79 CA2 (0.58) LOXCA12CA2CA9MAPT
SCHEMBL9750160 0.79 CA2 (0.58) LOXCA12CA2CA9MAPT
SCHEMBL19407960 0.77 KMT2A (0.61) LOXCA12CA2CA9MAPT
SCHEMBL4655576 0.75 L3MBTL1 (0.70) LOXMAPTL3MBTL1KMT2A
SCHEMBL9222044 0.74 ALDH1A1 (0.69) LOXCA12CA2CA9MAPT
SCHEMBL22015808 0.73 CA2 (0.54) CA12CA2CA9SMN1; SMN2TDP1
SCHEMBL917443 0.73 GAA (0.57) CA12CA2CA9SMN1; SMN2TDP1
SCHEMBL3182581 0.72 GAA (0.55) LOXCA12CA2CA9MAPT
SCHEMBL8617225 0.72 LOX (0.50) LOXMAPTNPC1GAAL3MBTL1

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
WO-1995002848-A1 MULTIFUNCTIONAL AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed