SCHEMBL11996377

SCHEMBL11996377

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ GFER P55789 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL11996376 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996378 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3887727 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3887725 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996381 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996383 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL11996382 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3892755 0.79 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL28704993 0.78 CA9 (0.50) ALDH1A1MEN1KMT2ACA9MAPT
SCHEMBL3892010 0.75 ALDH1A1 (0.35) 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 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
Send feedback