SCHEMBL22726491

SCHEMBL22726491

CNc1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ P2RX4 Q99571 1/20 0.45
▸ BCHE P06276 7/20 0.43
▸ ACHE P22303 2/20 0.43
▸ SNCA P37840 2/20 0.41
▸ NOX1 Q9Y5S8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KLKB1 P03952 1/20 0.33

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
SCHEMBL29378413 0.89 MAPK1 (0.65) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL24860289 0.89 MAPK1 (0.65) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL18408661 0.88 MAPK1 (0.55) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL15963115 0.83 MEN1 (0.81) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL25494058 0.81 SNCA (0.61) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL22300775 0.80 SNCA (0.46) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL244827 0.78 MAPK1 (0.62) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL29384821 0.78 MAPK1 (0.62) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL22726424 0.77 MAPK1 (0.60) MAPK1KMT2AMEN1TDP1L3MBTL1
SCHEMBL1208061 0.76 MAPK1 (0.67) MAPK1KMT2AMEN1TDP1L3MBTL1

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
WO-2020243008-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2020-12-03 — — WO disclosed
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