SCHEMBL2172827

SCHEMBL2172827

COc1ccc2sc(C)nc2c1.CSc1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ATM Q13315 2/20 0.58
JAK2 O60674 1/20 0.58
PDK1 Q15118 2/20 0.50
PPARA Q07869 4/20 0.49
PDE10A Q9Y233 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 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
SCHEMBL2183126 0.89 PDE10A (0.56) MAPTKDM4EMEN1KMT2AATM
SCHEMBL4049187 0.87 SMN1; SMN2 (0.61) MAPTKDM4EMEN1KMT2AATM
SCHEMBL2172504 0.84 MAPT (0.52) MAPTKDM4EMEN1KMT2AATM
SCHEMBL95067 0.82 NPC1 (0.55) MAPTATMPPARAPDE10ASMN1; SMN2
SCHEMBL31276816 0.82 NPC1 (0.55) MAPTATMPPARAPDE10ASMN1; SMN2
SCHEMBL2170238 0.82 SMN1; SMN2 (0.50) MAPTKDM4EMEN1KMT2APDK1
2-Mercaptobenzothiazole SCHEMBL2172823 0.81 PDE10A (0.49) MAPTKDM4EMEN1KMT2AATM
Methane SCHEMBL2171653 0.81 PDE10A (0.49) MAPTKDM4EMEN1KMT2AATM
SCHEMBL9157816 0.79 PPARA (0.53) MAPTKDM4EMEN1KMT2AATM
Benzo[D]Thiazole SCHEMBL25268299 0.79 PDE10A (0.52) MAPTKDM4EMEN1KMT2AATM

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