SCHEMBL29036622

SCHEMBL29036622

Cc1ccccc1CC(=O)c1cc(C)c(OC(N)=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 2/20 0.50
SHBG P04278 2/20 0.49
TTR P02766 1/20 0.41
MAPK8 P45983 1/20 0.40
CNR2 P34972 1/20 0.39
CTBP2 P56545 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD38 P28907 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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 0.80 L3MBTL1 (0.43) MEN1KMT2AMAPTSHBGNPC1
SCHEMBL30481767 0.79 SHBG (0.55) MEN1KMT2AMAPTSHBGMAPK8
SCHEMBL24459529 0.79 SHBG (0.55) MEN1KMT2AMAPTSHBGMAPK8
SCHEMBL29036636 0.74 GPR52 (0.45) MEN1KMT2AMAPTMAPK8MAOB
SCHEMBL7042925 0.72 MEN1 (0.63) MEN1KMT2AMAPTSHBGMAPK8
SCHEMBL24459450 0.72 SHBG (0.48) MEN1KMT2AMAPTSHBGTTR
SCHEMBL28696476 0.70 ALDH1A1 (0.60) MEN1KMT2AMAPTSHBGMAPK8
SCHEMBL11348407 0.70 SHBG (0.67) MEN1KMT2AMAPTSHBGMAPK8
SCHEMBL29036617 0.69 PDE4A (0.42)
SCHEMBL158861 0.69 CTBP2 (0.55) MEN1KMT2AMAPTSHBGMAPK8

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