SCHEMBL13015261

SCHEMBL13015261

CC(C)(CN=O)NC(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HDAC3 O15379 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
TP53 P04637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL755125 0.83 MEN1 (0.60) MEN1KMT2AHDAC3ALDH1A1SMN1; SMN2
SCHEMBL23801091 0.83 MEN1 (0.60) MEN1KMT2AHDAC3ALDH1A1SMN1; SMN2
SCHEMBL16622739 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL581489 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL23800758 0.77 MEN1 (0.54) MEN1KMT2AHDAC3ALDH1A1SMN1; SMN2
SCHEMBL10053368 0.72 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL9010787 0.72 MEN1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL18094478 0.72 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL11985611 0.72 KMT2A (0.55) MEN1KMT2AHDAC3ALDH1A1SMN1; SMN2
SCHEMBL18026626 0.71 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2PKM

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
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed