SCHEMBL29378413

SCHEMBL29378413

CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ P2RX4 Q99571 1/20 0.54
▸ BCHE P06276 8/20 0.53
▸ ACHE P22303 2/20 0.53
▸ SNCA P37840 3/20 0.49
▸ LMNA P02545 2/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SCN4A P35499 1/20 0.35

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
SCHEMBL24860289 1.00 MAPK1 (0.65) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL22726491 0.89 MAPK1 (0.54) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL29557693 0.85 MAPK1 (0.67) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1208061 0.85 MAPK1 (0.67) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL22778911 0.84 MAPK1 (0.65) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL22726424 0.83 MAPK1 (0.60) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL244827 0.81 MAPK1 (0.62) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL7187208 0.81 MEN1 (0.62) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL14492352 0.81 MAPK1 (0.62) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL29384821 0.81 MAPK1 (0.62) MAPK1MEN1KMT2ATDP1L3MBTL1

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-111748005-B GalNAc modified methylene blue derivative, preparation method and application thereof, liver-targeting fluorescent probe and HClO detection method 河北大学 2022-02-11 — — CN disclosed
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