SCHEMBL22481992

SCHEMBL22481992

CS(=O)(=O)NCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
RECQL P46063 2/20 0.32
NQO2 P16083 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PNMT P11086 2/20 0.31
KIF11 P52732 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
SCHEMBL11954378 0.77 POLB (0.36) POLBALDH1A1MAPTALOX15RECQL
SCHEMBL24334703 0.75 GRIA1 (0.56) EPHX1
SCHEMBL3043384 0.74 POLB (0.44) POLBALDH1A1MAPTALOX15RECQL
SCHEMBL2835677 0.74 POLB (0.34) POLBEPHX1
SCHEMBL9631930 0.73 PNMT (0.33) PNMT
SCHEMBL22757767 0.73 POLB (0.34) POLBALDH1A1MAPTALOX15RECQL
SCHEMBL12707759 0.73 POLB (0.34) POLBALDH1A1MAPTALOX15RECQL
Potassium Ion SCHEMBL9631915 0.73 PNMT (0.33) PNMT
SCHEMBL9953138 0.73 ALDH1A1 (0.41) POLBALDH1A1MAPTALOX15RECQL
SCHEMBL12789674 0.73 EPHX1 (0.55) POLBALDH1A1MAPTEPHX1GAA

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
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed