SCHEMBL3410002

SCHEMBL3410002

CC(C)(S)CN(C(=O)O)c1ccc2ncsc2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3404349 0.84 IRAK4 (0.31) IRAK4
SCHEMBL3404306 0.81 LMNA (0.34) IRAK4KDM4ENPC1RAB9AL3MBTL1
SCHEMBL3409576 0.79 LIPE (0.36) IRAK4POLBKDM4ENPC1RAB9A
SCHEMBL3406420 0.78 CA2 (0.36) KDM4E
SCHEMBL3403241 0.77 KMT2A (0.33)
SCHEMBL3406190 0.76 IRAK4 (0.32) IRAK4
SCHEMBL3405114 0.75 NPC1 (0.46) POLBKDM4ENPC1RAB9AHKDC1
SCHEMBL3409623 0.74 ALDH1A1 (0.38) L3MBTL1
SCHEMBL3402152 0.67 NAALAD2 (0.37)
SCHEMBL22445787 0.64 KDM4E (0.46) KDM4ENPC1RAB9AHKDC1TDP1

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed