SCHEMBL27147409

SCHEMBL27147409

O=[SH](=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
AR P10275 1/20 0.42
CYP17A1 P05093 3/20 0.37
EPHX2 P34913 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.35
IDO1 P14902 1/20 0.34
GRM4 Q14833 1/20 0.34
GRM2 Q14416 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL27136757 0.78 RXRA (0.53) RXRAGRIN1GRIN2BARCYP17A1
SCHEMBL27137469 0.77 RXRA (0.41) RXRAGRIN1GRIN2BARCYP17A1
SCHEMBL27142132 0.77 PTGS2 (0.43) RXRAGRIN1GRIN2BARLOXL2
SCHEMBL27140638 0.76 CA2 (0.37) NPC1RAB9APARP1
SCHEMBL28876225 0.76 BTK (0.41) RXRAGRIN1GRIN2BAREPHX2
SCHEMBL27152980 0.75 ADRB1 (0.43) CYP17A1EPHX2GRM4
SCHEMBL27140103 0.71 CYP11B2 (0.43) EPHX2GRM4MEN1NPC1RAB9A
SCHEMBL27137578 0.71 GRIN1 (0.38) RXRAGRIN1GRIN2BARCYP17A1
Iodide SCHEMBL27213634 0.71 GRIN1 (0.38) RXRAGRIN1GRIN2BARCYP17A1
SCHEMBL18529036 0.70 PDK2 (0.45) RXRAGRIN1GRIN2BARCYP17A1

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-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed