SCHEMBL28312938

SCHEMBL28312938

Cc1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ DNA2 P51530 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ TDP1 Q9NUW8 4/20 0.52
▸ TSHR P16473 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CLK1 P49759 2/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ FBP1 P09467 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6538267 0.89 DNA2 (0.63) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL6090060 0.79 DNA2 (0.56) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL29236598 0.79 DNA2 (0.56) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL1017079 0.79 DNA2 (0.56) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL30275708 0.79 DNA2 (0.56) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL3066032 0.78 DNA2 (0.66) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL8346957 0.78 FBP1 (0.43) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL1277854 0.77 DNA2 (0.83) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL3056048 0.77 TRIM24 (0.57) MAPTL3MBTL1NPC1MAPK1DNA2
SCHEMBL6538378 0.76 DNA2 (0.63) MAPTL3MBTL1NPC1MAPK1DNA2

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-108101830-B A kind of 3- replaces the preparation method of Oxoindole and derivative 中国科学院成都生物研究所 2019-08-23 — — CN disclosed
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