SCHEMBL29559751

SCHEMBL29559751

Cc1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
SCN5A Q14524 6/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NLRP3 Q96P20 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NPY5R Q15761 1/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP4K4 O95819 1/20 0.37
PTGS2 P35354 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
SCHEMBL29560633 0.87 ALOX5AP (0.42) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL29559542 0.84 NR2E1 (0.44) NPC1RAB9ANLRP3NPY5RAPP
SCHEMBL1259307 0.84 MAPT (0.47) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL19800806 0.82 MAOA (0.44) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL29559841 0.81 MAPT (0.54) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL29559236 0.78 MAPT (0.47) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL22897622 0.78 MAPT (0.47) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL1230313 0.77 MAOA (0.43) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL1260911 0.76 TLR2 (0.51) MAPTKDM4EGAANPC1RAB9A
SCHEMBL1259308 0.76 SCN5A (0.46) MAPTMAPK1KDM4EGAAL3MBTL1

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-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed