SCHEMBL10399370

SCHEMBL10399370

COc1ccc(/C(=C/C=O)c2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 7/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10399371 1.00 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399401 1.00 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10397921 0.82 MAOA (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10398899 0.82 MAOA (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10397891 0.81 MAOA (0.51) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10397890 0.81 MAOA (0.51) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL22319268 0.81 HPGDS (0.55) MAPTNPC1RAB9APKMTP53
SCHEMBL8564034 0.81 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4E
SCHEMBL6419828 0.79 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL6419827 0.79 L3MBTL1 (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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed