SCHEMBL2170235

SCHEMBL2170235

Cc1ccc2sc(C)nc2c1.Cc1nc2cc(Cl)ccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
IDO1 P14902 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.45
DYRK1A Q13627 1/20 0.45
POLB P06746 1/20 0.44
PPARA Q07869 4/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL29361355 0.93 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL1049510 0.93 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Iodomethane SCHEMBL28083731 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL92781 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Propane SCHEMBL28083723 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Bromide SCHEMBL10996884 0.87 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL2186277 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
Propane SCHEMBL28083730 0.84 HSD17B10 (0.59) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL2171446 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1NPC1RAB9AHSD17B10
SCHEMBL17865395 0.83 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 2 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 disclosed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO disclosed