SCHEMBL8430620

SCHEMBL8430620

O=S(=O)(O)c1ccc(C(F)(F)F)cn1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KMT2A Q03164 1/20 0.47
PPARD Q03181 13/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3702320 0.98 POLB (0.51) POLBKMT2APPARDCNR1CNR2
Hydrochloric Acid SCHEMBL27809972 0.96 POLB (0.50) POLBKMT2APPARDCNR1CNR2
SCHEMBL28654691 0.81 POLB (0.49) POLBKMT2APPARDCNR1CNR2
SCHEMBL12412755 0.79 POLB (0.48) POLBKMT2APPARDCNR1CNR2
SCHEMBL1300785 0.79 POLB (0.48) POLBKMT2APPARDCNR1CNR2
SCHEMBL3126218 0.79 POLB (0.52) POLBKMT2APPARDCNR1CNR2
SCHEMBL2702353 0.79 CA1 (0.55) POLBKMT2APPARDCNR1CNR2
SCHEMBL6074694 0.78 POLB (0.43) POLBKMT2APPARDCNR1CNR2
SCHEMBL14194277 0.78 POLB (0.47) POLBKMT2APPARDCNR1CNR2
SCHEMBL5035100 0.78 POLB (0.38) POLBPPARDCNR1CNR2KDM4E

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
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 EP disclosed