SCHEMBL1682467

SCHEMBL1682467

NC(=S)Nc1ccc2cccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.39
ATG4B Q9Y4P1 1/20 0.37
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
TYR P14679 1/20 0.36
TAS2R38 P59533 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7735807 0.83 KDM4E (0.51) CYP3A4CYP1A2MAPTMEN1KMT2A
SCHEMBL27839553 0.78 KMT2A (0.57) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL1602180 0.77 ALDH1A1 (0.47) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL11486599 0.77 KDM4E (0.51) CYP1A2L3MBTL1MEN1KMT2AKDM4E
SCHEMBL27860315 0.77 CYP3A4 (0.47) CYP3A4CYP1A2MAPTL3MBTL1MEN1
SCHEMBL1682381 0.74 NPC1 (0.56) MAPTKMT2AALDH1A1NPSR1ATG4B
SCHEMBL27860316 0.74 MEN1 (0.61) CYP3A4CYP1A2MAPTL3MBTL1MEN1
SCHEMBL15223284 0.73 NCF1 (0.53) CYP3A4CYP1A2MAPTMEN1KMT2A
SCHEMBL525427 0.71 RAB9A (0.61) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL29399796 0.71 RAB9A (0.61) MAPTL3MBTL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580530-B2 Anaerobically curable compositions Henkel IP & Holding GmbH (DE) 2017-02-28 US disclosed
EP-2488580-B1 ANAEROBICALLY CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2015-09-09 EP disclosed
US-20120231286-A1 ANAEROBICALLY CURABLE COMPOSITIONS LOCTITE (R&D) LIMITED (IE) 2012-09-13 US disclosed
EP-2488580-A2 ANAEROBICALLY CURABLE COMPOSITIONS Henkel Corporation (US) 2012-08-22 EP disclosed
WO-2011047123-A2 ANAEROBICALLY CURABLE COMPOSITIONS HENKEL CORPORATION (US) 2011-04-21 WO disclosed
US-4569976-A PEROXIDE CATALYST AND THIOUREA ACTIVATOR THE KENDALL COMPANY (US) 1986-02-11 US disclosed