SCHEMBL28617499

SCHEMBL28617499

CC(=O)c1ccccc1NC(=O)c1cccc(F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.52
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
PDE5A O76074 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTSA P10619 2/20 0.43

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
SCHEMBL28615124 0.84 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12090707 0.84 GRM5 (0.59) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29643946 0.84 GRM5 (0.59) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29643927 0.84 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31087255 0.81 MEN1 (0.49) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28611795 0.79 HDAC6 (0.62) GRM4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31087264 0.79 HDAC6 (0.62) GRM4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30909506 0.79 POLB (0.77) GRM4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL30909505 0.79 POLB (0.77) GRM4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL28617023 0.77 RAB9A (0.77) POLBSMN1; SMN2NPC1RAB9AMEN1

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
CN-118459438-A Synthesis method of iodine-catalyzed N-acyl-2-hydroxy-indol-3-one compound 延安大学 2024-08-09 CN disclosed
CN-113278007-B Synthetic method of 2-hydroxy-indole-3-ketone compound 延安大学 2022-05-17 CN disclosed
CN-113278007-A Synthetic method of 2-hydroxy-indole-3-ketone compound 延安大学 2021-08-20 CN disclosed