SCHEMBL28514002

SCHEMBL28514002

CC(=O)C=NNc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GAA P10253 6/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
CASP6 P55212 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.42
F13A1 P00488 1/20 0.42

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
SCHEMBL16283580 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL8681068 0.83 MEN1 (0.49) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL16278001 0.83 MEN1 (0.49) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL3923353 0.81 MEN1 (0.47) SMN1; SMN2GAAMAPTPOLBTDP1
SCHEMBL28515911 0.81 GAA (0.47) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL3923354 0.81 MEN1 (0.47) SMN1; SMN2GAAMAPTPOLBTDP1
SCHEMBL1144417 0.81 NOX1 (0.54) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL1144416 0.81 NOX1 (0.54) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL8587809 0.79 MAPT (0.51) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL8587811 0.79 MAPT (0.51) RAB9ANPC1SMN1; SMN2GAAMAPT

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-107372496-B Application of phenylhydrazino ketone compound as agricultural bactericide 华中师范大学 2021-01-15 CN disclosed