SCHEMBL29036636

SCHEMBL29036636

Cc1cc(C(=O)Cc2cccc(C(F)(F)F)c2)c(C)cc1OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.45
MAOB P27338 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
MAPK8 P45983 1/20 0.43
EPHX1 P07099 5/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR4A2 P43354 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL29036618 0.78 L3MBTL1 (0.43) MAPTHTTL3MBTL1MEN1KMT2A
SCHEMBL24459289 0.77 MEN1 (0.43) GPR52MAOBFFAR4MAPK8EPHX1
SCHEMBL24459213 0.76 MAPT (0.46) MAOBMAPK8MAPTHTTMEN1
SCHEMBL29036622 0.74 MEN1 (0.50) MAOBMAPK8MAPTMEN1KMT2A
SCHEMBL10562277 0.72 PIK3CA (0.56) MAPK8EPHX1MAPTHTTL3MBTL1
SCHEMBL23581754 0.72 KDM4E (0.53)
SCHEMBL10560370 0.71 PIK3CA (0.69) MAPK8EPHX1MAPTHTTL3MBTL1
SCHEMBL30496803 0.71 EPHX1 (0.59) MAOBMAPK8EPHX1MAPTMEN1
SCHEMBL966493 0.71 EPHX1 (0.59) MAOBMAPK8EPHX1MAPTMEN1
SCHEMBL28764488 0.71 MEN1 (0.47) MAPK8EPHX1MAPTHTTL3MBTL1

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-116457340-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-07-18 CN disclosed