SCHEMBL29973015

SCHEMBL29973015

O=S(=O)(Oc1cc2c(ccc3cc(F)ccc32)cn1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
GRM5 P41594 1/20 0.31
TYMS P04818 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
ALPL P05186 1/20 0.30
SPR P35270 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL28960742 1.00 TDP1 (0.36) TDP1CTDSP1PDE4APDE4CPDE4D
SCHEMBL2748493 0.86 MAPT (0.42) TDP1CTDSP1PDE4APDE4CPDE4D
SCHEMBL2748735 0.86 L3MBTL1 (0.39) TDP1CTDSP1PDE4APDE4CPDE4D
SCHEMBL29972435 0.84 PDE4A (0.40) TDP1PDE4APDE4CPDE4DMAPT
SCHEMBL31135307 0.84 PDE4A (0.40) TDP1PDE4APDE4CPDE4DMAPT
SCHEMBL28911793 0.84 PDE4A (0.40) TDP1PDE4APDE4CPDE4DMAPT
SCHEMBL29972510 0.83 CXCR2 (0.34) PDE4APDE4CPDE4DHSD11B1
SCHEMBL28911769 0.83 CXCR2 (0.34) PDE4APDE4CPDE4DHSD11B1
SCHEMBL29972718 0.76 PDE4A (0.42) TDP1PDE4APDE4CPDE4DMAPT
SCHEMBL28911790 0.76 PDE4A (0.42) TDP1PDE4APDE4CPDE4DMAPT

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
CN-115304644-B Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device 三星电子株式会社 2024-09-20 CN disclosed
CN-115304644-A Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device 三星电子株式会社 2022-11-08 CN disclosed