SCHEMBL3889245

SCHEMBL3889245

COc1ccc(N2C(=O)CSC2=Nc2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 7/20 0.61
MAPT P10636 4/20 0.61
GFER P55789 1/20 0.59
EGFR P00533 1/20 0.53
KDR P35968 1/20 0.53
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
FAAH O00519 1/20 0.47
DHODH Q02127 1/20 0.46

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
SCHEMBL3889242 1.00 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL19305994 0.87 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL12013236 0.86 GFER (0.68) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL28037508 0.86 GFER (0.68) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL27898212 0.82 GFER (0.63) L3MBTL1ALDH1A1MAPTGFERHPGD
SCHEMBL27915949 0.78 GFER (0.55) L3MBTL1ALDH1A1MAPTGFERHPGD
SCHEMBL944348 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL944350 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTGFEREGFR
SCHEMBL27806241 0.74 GAA (0.70) L3MBTL1ALDH1A1MAPTMAPK1MEN1
SCHEMBL31310377 0.73 CA2 (0.64) L3MBTL1ALDH1A1MAPTGFERMEN1

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
US-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 US disclosed
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 WO disclosed