SCHEMBL30595091

SCHEMBL30595091

CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ SNCA P37840 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL6308966 0.84 MAPK1 (0.46) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL30480968 0.84 MAPK1 (0.46) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL19404346 0.79 SNCA (0.53) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1208061 0.76 MAPK1 (0.67) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL29557693 0.76 MAPK1 (0.67) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL15031934 0.76 MAPK1 (0.59) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL244958 0.76 KMT2A (0.59) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL29386704 0.76 KMT2A (0.59) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL11764947 0.76 MAPK1 (0.62) MAPK1MEN1KMT2AL3MBTL1TDP1
SCHEMBL241699 0.75 KMT2A (0.57) MAPK1MEN1KMT2AL3MBTL1TDP1

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-110042146-B Method for testing blood sample 雅培快速诊断国际无限公司 2023-09-01 — — CN disclosed
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