SCHEMBL27300023

SCHEMBL27300023

CC(C)(C)OC(=O)NCc1ccc(Oc2ccc(Cl)cc2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
P2RX3 P56373 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RXRB P28702 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
EPAS1 Q99814 1/20 0.40
GRIN2B Q13224 1/20 0.39
EPHX2 P34913 1/20 0.39
IDO1 P14902 1/20 0.39
NAMPT P43490 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL31473369 0.90 FAAH (0.47) P2RX3L3MBTL1RXRBNAMPT
SCHEMBL27295443 0.90 FAAH (0.47) P2RX3L3MBTL1RXRBNAMPT
SCHEMBL27300364 0.85 GRM2 (0.43) GAAL3MBTL1NAMPT
SCHEMBL31473430 0.85 SCN9A (0.47) L3MBTL1NAMPT
SCHEMBL27295180 0.85 SCN9A (0.47) L3MBTL1NAMPT
SCHEMBL30392991 0.84 CARM1 (0.45) L3MBTL1NAMPT
SCHEMBL27299801 0.82 EGLN1 (0.43) GAAL3MBTL1NAMPT
SCHEMBL27299882 0.82 EGLN1 (0.42) GAAL3MBTL1NAMPT
SCHEMBL27299733 0.81 SCN9A (0.46) L3MBTL1NAMPT
SCHEMBL27300452 0.81 L3MBTL1 (0.43) GAAL3MBTL1NAMPT

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-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed