SCHEMBL28820342

SCHEMBL28820342

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C/c2cccc(Br)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL28820321 0.91 MAPT (0.46) MEN1KMT2AMAPT
SCHEMBL28820338 0.90 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL28820326 0.90 ALDH1A1 (0.41) MAPT
SCHEMBL28820341 0.90 MAPT (0.39) KMT2AMAPT
SCHEMBL29795090 0.90 MAPT (0.39) KMT2AMAPT
SCHEMBL28820361 0.89 NPC1 (0.37) NPC1RAB9AKMT2ACA12CA1
SCHEMBL28820346 0.87 POLB (0.39) KMT2A
SCHEMBL28820352 0.87 CYP2C19 (0.40) RAB9AMAPT
SCHEMBL28820358 0.87 MAPT (0.45) KMT2AMAPT
SCHEMBL28820331 0.86 CA12 (0.48) MEN1KMT2AMAPTCA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773276-B Pyrithiobac-sodium aldoxime ester herbicide and preparation method thereof 常州大学 2023-07-25 CN claimed
CN-114773276-A Pyriminosulfether aldoxime ester herbicide and preparation method thereof 常州大学 2022-07-22 CN claimed
CN-114773276-B Pyrithiobac-sodium aldoxime ester herbicide and preparation method thereof 常州大学 2023-07-25 CN disclosed
CN-114773276-A Pyriminosulfether aldoxime ester herbicide and preparation method thereof 常州大学 2022-07-22 CN disclosed