SCHEMBL3892755

SCHEMBL3892755

C[C@@H](C(=O)N[C@@H](CCCN(C(=O)O)C(C)(C)C)C(N)=O)N1C(=O)CS/C1=N\c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ PADI1 Q9ULC6 8/20 0.32
▸ PADI4 Q9UM07 8/20 0.32
▸ PADI3 Q9ULW8 6/20 0.32
▸ NPY1R P25929 2/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ PADI2 Q9Y2J8 5/20 0.32
▸ PDE4A P27815 3/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PADI6 Q6TGC4 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31
▸ NPFFR1 Q9GZQ6 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
SCHEMBL3892003 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9PADI1
SCHEMBL11996382 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996383 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996381 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3887727 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996376 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996378 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996377 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3896531 0.78 PTGES (0.46) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3896527 0.78 PTGES (0.46) ALDH1A1MEN1KMT2ACA9MAPT

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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