Methane

Methane

SCHEMBL2171653

C.COc1ccc2sc(S)nc2c1.Cc1nc2ccccc2s1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
JAK2 O60674 1/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
NPC1 O15118 7/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46

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
2-Mercaptobenzothiazole SCHEMBL2172823 1.00 PDE10A (0.49) PDE10AKMT2AMEN1KDM4EMAPT
SCHEMBL2183126 0.91 PDE10A (0.56) PDE10AKMT2AMEN1KDM4EMAPT
SCHEMBL30627231 0.85 NPC1 (0.54) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL778048 0.85 NPC1 (0.54) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL95067 0.83 NPC1 (0.55) PDE10AMAPTATMRAB9ASMN1; SMN2
SCHEMBL31276816 0.83 NPC1 (0.55) PDE10AMAPTATMRAB9ASMN1; SMN2
2-Mercaptobenzothiazole SCHEMBL2170236 0.82 MAPT (0.49) PDE10AKMT2AMEN1KDM4EMAPT
SCHEMBL2172827 0.81 MAPT (0.58) PDE10AKMT2AMEN1KDM4EMAPT
Benzo[D]Thiazole SCHEMBL25268299 0.80 PDE10A (0.52) PDE10AKMT2AMEN1KDM4EMAPT
2-Mercaptobenzothiazole SCHEMBL17107443 0.78 RAB9A (0.45) KMT2AMEN1KDM4EMAPTJAK2

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 claimed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed