SCHEMBL29640431

SCHEMBL29640431

CCc1ccc2c(c1)Sc1cc(CC)ccc1N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.50
NOX1 Q9Y5S8 5/20 0.43
GAA P10253 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR4 P46093 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 2/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL222750 1.00 SNCA (0.50) SNCANOX1GAAMAPTMEN1
SCHEMBL23837982 0.91 SNCA (0.43) SNCANOX1GAAMAPTMEN1
SCHEMBL240209 0.91 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL29640421 0.83 NOX1 (0.43) SNCANOX1GAAMAPTMEN1
SCHEMBL227244 0.82 SNCA (0.46) SNCANOX1GAAMAPTMEN1
SCHEMBL29640461 0.82 SNCA (0.46) SNCANOX1GAAMAPTMEN1
SCHEMBL7595855 0.80 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL225844 0.80 PTGS2 (0.46) SNCALMNAALDH1A1KDM4ECYP3A4
SCHEMBL8142919 0.80 PTGS2 (0.46) SNCALMNAALDH1A1KDM4ECYP3A4
SCHEMBL29399785 0.80 PTGS2 (0.46) SNCALMNAALDH1A1KDM4ECYP3A4

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