SCHEMBL1508733

SCHEMBL1508733

COc1cc([C@H]2NS(=O)(=O)N[C@@]2(C)c2ccc(Cl)nc2)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
CHEK1 O14757 2/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
DYRK1A Q13627 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL1508736 0.88 NPC1 (0.34) PDE10AADAM17ADAMTS5CHEK1DYRK1A
SCHEMBL1508741 0.86 MDM2 (0.36)
SCHEMBL7921145 0.86 MDM2 (0.36)
SCHEMBL14793575 0.83 KMT2A (0.33) MEN1KMT2A
SCHEMBL14817142 0.83 KMT2A (0.33) MEN1KMT2A
SCHEMBL1509079 0.78 PDE10A (0.34) PDE10AADAM17ADAMTS5ALDH1A1KMT2A
SCHEMBL1508874 0.78 KCNQ3 (0.39)
SCHEMBL1508742 0.74 KCNQ3 (0.34)
SCHEMBL1508739 0.74 KCNQ3 (0.34)
SCHEMBL1509102 0.73 TAAR1 (0.30) NPC1

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-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed