SCHEMBL5218151

SCHEMBL5218151

CCC[C@H](N)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
XIAP P98170 5/20 0.36
RORC P51449 1/20 0.35
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
COPS5 Q92905 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
GLS O94925 1/20 0.33

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
SCHEMBL5217650 0.90 XIAP (0.37) XIAPRORCCOPS5ATAD2GLS
SCHEMBL3083725 0.88 POLB (0.38) POLBCA1CA2XIAPRORC
SCHEMBL5220713 0.84 SMN1; SMN2 (0.36) XIAPRORCCOPS5ATAD2GLS
SCHEMBL5217299 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5218907 0.77 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5217189 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5220786 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3088370 0.77 MEN1 (0.39) POLBXIAPRORCMEN1KMT2A
SCHEMBL5218212 0.76 RXFP1 (0.49) POLBXIAPPSEN1PSEN2APH1B
SCHEMBL1841799 0.76 L3MBTL1 (0.46) RORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
EP-1525193-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-04-27 EP disclosed
WO-2004009565-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-01-29 WO disclosed