SCHEMBL18801320

SCHEMBL18801320

CCOC(=O)c1c(CSc2ccccc2)ccc(C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.46
ALOX5 P09917 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL1647924 0.91 LMNA (0.47) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL1648072 0.88 MAPT (0.47) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801282 0.87 KMT2A (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18801109 0.82 MAPT (0.47) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801347 0.81 L3MBTL1 (0.48) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801162 0.81 NPC1 (0.41) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801108 0.79 ALOX5 (0.48) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801058 0.79 ALOX5 (0.48) LMNAMAPTMAPK1ALOX5NPC1
SCHEMBL28104591 0.79 ALDH1A1 (0.51) LMNAMAPTMAPK1MEN1ALOX5
SCHEMBL18801417 0.78 KMT2A (0.44) MEN1KMT2ANPC1RAB9ATP53

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed