SCHEMBL2186277

SCHEMBL2186277

Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CASR P41180 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
PDE10A Q9Y233 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FBP1 P09467 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL8971386 0.95 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1CASRNPC1RAB9A
SCHEMBL29361355 0.91 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL1049510 0.91 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Iodomethane SCHEMBL28083731 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Benzo[D]Thiazole SCHEMBL23521064 0.87 HSD17B10 (0.51) SMN1; SMN2NPSR1CASRNPC1RAB9A
Propane SCHEMBL28083723 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL17865395 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL2170235 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL55837 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHSD17B10IDO1
SCHEMBL2171446 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP claimed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP disclosed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO disclosed