SCHEMBL3892010

SCHEMBL3892010

CC(C(=O)NC(CCCNC(=O)O)C(=O)NC(C)(C)C)N1C(=O)CSC1=Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC1A2 P43004 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ NPY1R P25929 2/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KISS1R Q969F8 1/20 0.31
▸ FURIN P09958 2/20 0.31
▸ CACNA1B Q00975 1/20 0.31

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
SCHEMBL11996377 0.75 ALDH1A1 (0.42) ALDH1A1SLC1A2MEN1KMT2ACA9
SCHEMBL3887727 0.75 ALDH1A1 (0.42) ALDH1A1SLC1A2MEN1KMT2ACA9
SCHEMBL11996378 0.75 ALDH1A1 (0.42) ALDH1A1SLC1A2MEN1KMT2ACA9
SCHEMBL3887725 0.72 ALDH1A1 (0.39) ALDH1A1SLC1A2MEN1KMT2ACA9
SCHEMBL28704993 0.69 CA9 (0.50) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996382 0.66 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996383 0.66 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL22127960 0.66 SIRT1 (0.40) MEN1KMT2A
SCHEMBL12509123 0.61 SIRT1 (0.34) —
SCHEMBL23460325 0.60 NPY1R (0.48) NPY1R

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
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