SCHEMBL11996383

SCHEMBL11996383

C[C@H](NC(=O)[C@H](CCCN(C(=O)O)C(C)(C)C)N1C(=O)CSC1=Nc1ccccc1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

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
▸ MAPT P10636 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.30
▸ ERAP1 Q9NZ08 1/20 0.30
▸ LNPEP Q9UIQ6 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP14 P50281 1/20 0.30

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
SCHEMBL11996382 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996381 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3892755 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3892003 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3890614 0.81 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996378 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996377 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3887727 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996376 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996400 0.77 PTGES (0.43) MEN1KMT2ACA9MAPT

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
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
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