SCHEMBL28617023

SCHEMBL28617023

CC(=O)c1ccccc1NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.77
NPC1 O15118 11/20 0.77
SMN1; SMN2 Q16637 10/20 0.77
ALDH1A1 P00352 5/20 0.77
KMT2A Q03164 4/20 0.77
TP53 P04637 4/20 0.77
MEN1 O00255 3/20 0.77
HPGD P15428 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
NFKB1 P19838 5/20 0.65
NFKB2 Q00653 5/20 0.65
RELA Q04206 5/20 0.65
MAPT P10636 4/20 0.65
RECQL P46063 1/20 0.65
NTRK3 Q16288 1/20 0.57
NTRK2 Q16620 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL18963259 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL21446852 0.86 ABCG2 (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL21446853 0.86 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL22046074 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL32674578 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12090707 0.81 GRM5 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL29643946 0.81 GRM5 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL27920671 0.79 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1131467 0.79 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL29643927 0.78 POLB (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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