SCHEMBL2187148

SCHEMBL2187148

CC(C)(C)NSc1nc2ccccc2s1.c1ccc2sc(SN3CCOCC3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
HSD17B10 Q99714 4/20 0.75
HPGD P15428 4/20 0.75
ALOX15 P16050 3/20 0.75
PKM P14618 2/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
USP2 O75604 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADRA2A P08913 1/20 0.40
FBP1 P09467 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL29404281 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDALOX15PKM
SCHEMBL79658 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDALOX15PKM
SCHEMBL80374 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL29370541 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL6372950 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL30017383 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL6915262 0.81 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDALOX15PKM
Tert-Butylamine SCHEMBL11814397 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL16454553 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDALOX15PKM
SCHEMBL7937684 0.77 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDALOX15PKM

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