SCHEMBL29640461

SCHEMBL29640461

CCCCc1ccc2c(c1)Sc1cc(CCCC)ccc1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.46
SKP2 Q13309 1/20 0.44
NOX1 Q9Y5S8 5/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL227244 1.00 SNCA (0.46) SNCASKP2NOX1MAPK1GAA
SCHEMBL8142919 0.93 PTGS2 (0.46) SNCALMNAALDH1A1HSD17B10CYP3A4
SCHEMBL7765522 0.93 PTGS2 (0.46) SNCALMNAALDH1A1HSD17B10CYP3A4
SCHEMBL29640428 0.93 PTGS2 (0.46) SNCALMNAALDH1A1HSD17B10CYP3A4
SCHEMBL225844 0.93 PTGS2 (0.46) SNCALMNAALDH1A1HSD17B10CYP3A4
SCHEMBL29399785 0.93 PTGS2 (0.46) SNCALMNAALDH1A1HSD17B10CYP3A4
SCHEMBL8147738 0.92 NOX1 (0.53) SNCANOX1MAPK1GAAMAPT
SCHEMBL8150371 0.86 NOX1 (0.50) SNCANOX1MAPK1GAAMAPT
SCHEMBL223661 0.86 NOX1 (0.50) SNCANOX1MAPK1GAAMAPT
SCHEMBL8156091 0.86 NOX1 (0.50) SNCANOX1MAPK1GAAMAPT

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-4055065-A2 COMPOSITION FOR IMMEDIATE TERMINATION OF FREE-RADICAL POLYMERIZATION AND USES THEREOF RHODIA OPERATIONS (FR) 2022-09-14 EP disclosed
CN-114641507-A Compositions for immediate termination of free radical polymerization and uses thereof 罗地亚经营管理公司 2022-06-17 CN disclosed