SCHEMBL28515911

SCHEMBL28515911

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NLRP1 Q9C000 1/20 0.43
ALDH1A1 P00352 3/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 2/20 0.42
GFER P55789 2/20 0.41
RECQL P46063 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41

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
SCHEMBL23384664 0.83 GAA (0.42) GAASMN1; SMN2NPC1HTTRAB9A
SCHEMBL5451296 0.82 RAB9A (0.42) GAASMN1; SMN2NPC1HTTRAB9A
SCHEMBL5451292 0.82 RAB9A (0.42) GAASMN1; SMN2NPC1HTTRAB9A
SCHEMBL3923354 0.81 MEN1 (0.47) GAASMN1; SMN2HTTMAPTALOX12
SCHEMBL28514002 0.81 RAB9A (0.47) GAASMN1; SMN2NPC1HTTRAB9A
SCHEMBL16283580 0.81 RAB9A (0.47) GAASMN1; SMN2NPC1HTTRAB9A
SCHEMBL3923353 0.81 MEN1 (0.47) GAASMN1; SMN2HTTMAPTALOX12
SCHEMBL1144416 0.81 NOX1 (0.54) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1144417 0.81 NOX1 (0.54) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28516680 0.81 NPC1 (0.49) GAASMN1; SMN2NPC1HTTRAB9A

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