SCHEMBL27796830

SCHEMBL27796830

COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3cnc4[nH]ccc4c3)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
IMPDH2 P12268 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NQO2 P16083 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
HTT P42858 2/20 0.43
PLAU P00749 1/20 0.43
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4556270 0.88 MEN1 (0.45) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27776090 0.86 IMPDH2 (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4556271 0.86 PKM (0.46) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL4556269 0.82 PLAU (0.47) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27775962 0.81 MAOB (0.58) MEN1KMT2ANPC1RAB9A
SCHEMBL27796995 0.80 MAOB (0.60) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL28785517 0.80 MEN1 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL27776099 0.78 MEN1 (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2816734 0.78 MAPT (0.62) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27796778 0.77 AURKB (0.60) MAPTALDH1A1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN claimed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed