SCHEMBL6869667

SCHEMBL6869667

CCCCCCCCCSC1=C(Cl)C(=O)c2ncccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.52
S100A4 P26447 4/20 0.52
SOAT1 P35610 9/20 0.43
GPR84 Q9NQS5 1/20 0.41
NSD2 O96028 2/20 0.41
TDP2 O95551 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL6869513 1.00 CDC25B (0.52) CDC25BS100A4SOAT1GPR84NSD2
SCHEMBL6869485 1.00 CDC25B (0.52) CDC25BS100A4SOAT1GPR84NSD2
SCHEMBL6867361 0.99 CDC25B (0.54) CDC25BS100A4SOAT1NSD2TDP2
SCHEMBL6866000 0.95 S100A4 (0.55) CDC25BS100A4SOAT1NSD2TDP2
SCHEMBL6866019 0.90 CDC25B (0.58) CDC25BS100A4NSD2TDP2ABL1
SCHEMBL6866105 0.84 S100A4 (0.61) CDC25BS100A4NSD2TDP2ABL1
SCHEMBL11696292 0.73 SOAT1 (0.40) SOAT1GPR84
SCHEMBL30996033 0.72 SOAT1 (0.57) CDC25BS100A4SOAT1TDP2MEN1
SCHEMBL30996027 0.72 SOAT1 (0.57) CDC25BS100A4SOAT1TDP2MEN1
SCHEMBL3275846 0.72 SOAT1 (0.57) CDC25BS100A4SOAT1TDP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818653-B1 7-THIOCYANO SUBSTITUENT; REACTING 6,7-DIHALO-5,8-QUINOLINEDIONE AND ANILINE DERIVATIVE; AMINATION IL JIN COPPER FOIL CORP. (KR) 2004-11-16 US disclosed