SCHEMBL28516680

SCHEMBL28516680

CC(=O)C=NNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 3/20 0.49
THRB P10828 1/20 0.49
EPHX1 P07099 2/20 0.49
EPHX2 P34913 2/20 0.49
CYP3A4 P08684 1/20 0.46
APEX1 P27695 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MITF O75030 1/20 0.46
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 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
SCHEMBL28515911 0.81 GAA (0.47) NPC1MAPTRAB9ASMN1; SMN2EPHX1
SCHEMBL28508988 0.79 MAPT (0.57) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL16283580 0.74 RAB9A (0.47) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL3923354 0.74 MEN1 (0.47) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL28514002 0.74 RAB9A (0.47) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL3923353 0.74 MEN1 (0.47) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL1144417 0.73 NOX1 (0.54) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL1144416 0.73 NOX1 (0.54) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL8587809 0.71 MAPT (0.51) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL18871495 0.71 EPHX1 (0.50) NPC1MAPTRAB9ASMN1; SMN2EPHX1

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