SCHEMBL4431454

SCHEMBL4431454

CC(=O)NC1=N[C@@](C)(c2occc2C=O)CS1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30
BCHE P06276 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL48744 0.65 PIP4K2A (0.39) LMNARECQLTDP1
SCHEMBL7468817 0.59 ALDH1A1 (0.40) L3MBTL1POLBCYP1A2LMNARAB9A
SCHEMBL18249739 0.57 ALDH1A1 (0.31)
SCHEMBL1421249 0.57 BACE1 (0.53)
SCHEMBL1421251 0.57 BACE1 (0.53)
SCHEMBL29954898 0.54 TRIM24 (0.46) L3MBTL1CYP1A2RAB9A
SCHEMBL23450058 0.54 ALDH1A1 (0.62) L3MBTL1POLBRAB9A
SCHEMBL9510452 0.54 KDM4E (0.38) L3MBTL1RAB9ATDP1
SCHEMBL30999728 0.54 ALDH1A1 (0.43) POLB
SCHEMBL11158894 0.53 SRC (0.34)

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
EP-2061787-A2 5-(2-FURYL)-1,3-THIAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2009-05-27 EP disclosed
WO-2008027584-A2 5- (2-FURYL)-1, 3-THIAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-06 WO disclosed