SCHEMBL3940708

SCHEMBL3940708

Cn1c(=O)n(C)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
CYP3A4 P08684 1/20 0.64
GSK3B P49841 5/20 0.59
GSK3A P49840 4/20 0.59
CCNB2 O95067 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
LGMN Q99538 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2B P29275 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PRKCA P17252 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL23635737 0.89 HPGD (0.54) HPGDCYP3A4GSK3BGSK3ACCNB2
SCHEMBL8985073 0.84 GSK3B (0.67) HPGDCYP3A4GSK3BGSK3ACCNB2
SCHEMBL38658744 0.83 KMT2A (0.56) HPGDCYP3A4GSK3BGSK3ACCNB2
SCHEMBL13562506 0.83 MEN1 (0.55) HPGDCYP3A4GSK3BGSK3ACCNB2
SCHEMBL23974605 0.82 HPGD (0.57) HPGDCYP3A4LGMNADORA2BSMN1; SMN2
SCHEMBL23974602 0.82 LGMN (0.58) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL10994602 0.81 HPGD (0.58) HPGDCYP3A4GSK3BGSK3ACCNB2
SCHEMBL23974799 0.81 HPGD (0.56) HPGDCYP3A4LGMNADORA2BSMN1; SMN2
SCHEMBL23974795 0.81 HPGD (0.56) HPGDCYP3A4LGMNADORA2BSMN1; SMN2
SCHEMBL25827062 0.80 CYP3A4 (0.69) HPGDCYP3A4GSK3BGSK3ACCNB2

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
US-7585427-B2 For preventing occurrence of fluffs, yarn breaking and uneven dyeing; polyether, C17-60 ester or mineral oil lubricant; emulsifier; nonionic surfactants, polyoxyalkylene derivatives TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2009-09-08 US disclosed
US-20060093747-A1 Processing agents and methods for synthetic fibers TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2006-05-04 US disclosed