SCHEMBL2170339

SCHEMBL2170339

COc1ccc2nc(C)sc2c1.Cc1ccc2sc(C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PDK1 Q15118 1/20 0.54
MAPT P10636 3/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
APP P05067 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL422166 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
Iodomethane SCHEMBL4054071 0.86 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL31276816 0.86 NPC1 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL95067 0.86 NPC1 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL92781 0.82 SMN1; SMN2 (0.61) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2183126 0.82 PDE10A (0.56) TDP1L3MBTL1MAPTTSHRNPC1
SCHEMBL9190961 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
Bromide SCHEMBL10996884 0.81 SMN1; SMN2 (0.59) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30542465 0.79 SMN1; SMN2 (0.66) TDP1L3MBTL1MAPTNPC1RAB9A
SCHEMBL84327 0.79 SMN1; SMN2 (0.66) TDP1L3MBTL1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464446-B1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM Henkel IP & Holding GmbH (DE) 2021-06-23 EP claimed
EP-3464446-A1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM Henkel IP & Holding GmbH (DE) 2019-04-10 EP claimed
US-10100235-B2 Two-part cyanoacrylate curable adhesive system Henkel IP & Holding GmbH (DE) 2018-10-16 US claimed
WO-2017202698-A1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM Henkel IP & Holding GmbH (DE) 2017-11-30 WO claimed
US-20170335151-A1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM HENKEL AG & CO. KGAA (DE) 2017-11-23 US claimed
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
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO disclosed
EP-3464446-B1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM Henkel IP & Holding GmbH (DE) 2021-06-23 EP disclosed
US-10100235-B2 Two-part cyanoacrylate curable adhesive system Henkel IP & Holding GmbH (DE) 2018-10-16 US disclosed
US-20170335151-A1 TWO-PART CYANOACRYLATE CURABLE ADHESIVE SYSTEM HENKEL AG & CO. KGAA (DE) 2017-11-23 US disclosed
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