SCHEMBL11084686

SCHEMBL11084686

O=C=C1CC=Cc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.34
CDC25B P30305 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1021274 0.77 S100A4 (0.41) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL15405526 0.75 S100A4 (0.40) S100A4CDC25BTDP1TDP2NSD2
Hydrochloric Acid SCHEMBL31127657 0.75 S100A4 (0.40) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL30503628 0.75 S100A4 (0.40) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL19423556 0.75 S100A4 (0.40) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL27477220 0.73 S100A4 (0.33) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL30657709 0.73 TDP1 (0.34) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL15307700 0.73 TDP1 (0.34) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL885315 0.71 CA1 (0.37) CDC25BCES1MEN1THRBKMT2A
Sulfuric Acid SCHEMBL11007507 0.70 TDP1 (0.39) S100A4CDC25BTDP1TDP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426306-A Antioxidants and lubricating oil containing same STANDARD OIL COMPANY (INDIANA) (US) 1984-01-17 US claimed
US-4426306-A Antioxidants and lubricating oil containing same STANDARD OIL COMPANY (INDIANA) (US) 1984-01-17 US disclosed
US-4390437-A PYRIDYLPHENYL KETIMINE STANDARD OIL COMPANY (INDIANA) (US) 1983-06-28 US disclosed