SCHEMBL6419828

SCHEMBL6419828

COc1ccc(C(=CCO)c2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6419827 1.00 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL6419874 0.81 HPGDS (0.50) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL6419876 0.81 HPGDS (0.50) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL6419216 0.81 ALDH1A1 (0.57) MAPTALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL10399371 0.79 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399401 0.79 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399370 0.79 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL13236797 0.76 L3MBTL1 (0.55) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL8540384 0.76 L3MBTL1 (0.57) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10397921 0.74 MAOA (0.52) L3MBTL1MAPTNPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed