SCHEMBL28913992

SCHEMBL28913992

Nc1ncccc1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.54
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
LOX P28300 1/20 0.42
TGFBR1 P36897 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TIPARP Q7Z3E1 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
PDE10A Q9Y233 3/20 0.41
METAP2 P50579 1/20 0.39
KCNQ2 O43526 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2486570 0.82 NOTUM (0.49) MAP4K4NOTUMIDO1LOXL2LOX
SCHEMBL29889827 0.82 NOTUM (0.49) MAP4K4NOTUMIDO1LOXL2LOX
SCHEMBL29594557 0.81 METAP2 (0.44) MAP4K4NOTUMIDO1LOXL2MKNK1
SCHEMBL25222544 0.81 MAP4K4 (0.50) MAP4K4NOTUMIDO1LOXL2LOX
SCHEMBL30112165 0.81 MAP4K4 (0.50) MAP4K4NOTUMIDO1LOXL2LOX
SCHEMBL3140455 0.77 MAP4K4 (0.63) MAP4K4MKNK1MKNK2TGFBR1
SCHEMBL29575679 0.77 KCNH2 (0.53) MAP4K4MKNK1MKNK2TGFBR1PDE10A
SCHEMBL22322823 0.75 IDO1 (0.56) MAP4K4NOTUMIDO1LOXL2LOX
SCHEMBL27785145 0.75 POLB (0.51) NOTUMIDO1LOXL2LOXPARP15
SCHEMBL28267323 0.75 DHFR (0.51) MAP4K4NOTUMIDO1LOXL2LOX

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
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed