SCHEMBL28820344

SCHEMBL28820344

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C/c2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL28820346 0.92 POLB (0.39) KMT2A
SCHEMBL28820361 0.91 NPC1 (0.37) NPC1RAB9AKMT2A
SCHEMBL28820352 0.91 CYP2C19 (0.40) RAB9AMAPT
SCHEMBL28820358 0.91 MAPT (0.45) MAPTCASP3KMT2ASENP8SENP7
SCHEMBL28820321 0.90 MAPT (0.46) MAPTKMT2A
SCHEMBL28820338 0.87 CA12 (0.44)
SCHEMBL28820348 0.87 ALOX5 (0.40) MAPT
SCHEMBL29795090 0.86 MAPT (0.39) MAPTCASP3KMT2ASENP8SENP7
SCHEMBL28820341 0.86 MAPT (0.39) MAPTCASP3KMT2ASENP8SENP7
SCHEMBL28820326 0.86 ALDH1A1 (0.41) MAPT

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