SCHEMBL22282414

SCHEMBL22282414

Cn1c2ccc(N)cc2c(=O)c2cc(SN(CCOP(O)O)CCOP(O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BRPF1 P55201 1/20 0.31

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
SCHEMBL22282399 0.83 MAPT (0.43) MEN1KMT2AL3MBTL1
SCHEMBL22282408 0.68 MAPT (0.47) MEN1KMT2AL3MBTL1
SCHEMBL22282398 0.67 CTSV (0.48) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL28179893 0.66 NPC1 (0.71) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL22281390 0.63 GAA (0.41) MEN1KMT2ANPC1RAB9A
SCHEMBL29433546 0.63 KDM4E (0.50) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL351390 0.63 KDM4E (0.50) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL3887846 0.58 KMT2A (0.38) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1798361 0.58 HPGD (0.59) MEN1KMT2A
SCHEMBL3874806 0.58 BCHE (0.56) MEN1KMT2ANPC1RAB9ABRPF1

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-2020151804-A1 SULFONATED 2(7)-AMINOACRIDONE AND 1-AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2020-07-30 — — WO disclosed
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