SCHEMBL28431272

SCHEMBL28431272

O=C(NC(=S)NNC(=O)c1ccccn1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ GAA P10253 3/20 0.62
▸ ALPL P05186 1/20 0.62
▸ ALPI P09923 1/20 0.62
▸ ALPG P10696 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ TLR7 Q9NYK1 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ CCR6 P51684 1/20 0.58

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
SCHEMBL28439569 0.89 TLR7 (0.77) KDM4EGAALMNAHTTL3MBTL1
SCHEMBL24931101 0.86 TLR7 (0.78) KDM4ELMNAHTTL3MBTL1KMT2A
SCHEMBL11599578 0.82 KMT2A (0.86) KDM4EGAAALPLALPIALPG
SCHEMBL9123460 0.82 AGTR1 (0.62) KDM4EGAALMNAHTTL3MBTL1
SCHEMBL1147702 0.80 KDM4E (0.73) KDM4ELMNAHTTL3MBTL1NPC1
SCHEMBL23317163 0.80 KDM4E (0.71) KDM4EGAAALPLLMNAHTT
SCHEMBL4877114 0.79 RAB9A (0.74) KDM4EGAAALPLALPIALPG
SCHEMBL4030184 0.78 RAB9A (0.63) KDM4EGAAALPLALPIALPG
SCHEMBL14810907 0.77 KDM4E (0.67) KDM4EALPLLMNAHTTL3MBTL1
SCHEMBL13381514 0.76 TLR7 (0.73) KDM4EGAALMNAHTTL3MBTL1

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-107041374-B Application of N-substituted aryl (arylformamido) -N' -substituted arylformyl thiourea compound in blue algae growth inhibition 华中师范大学 2020-05-05 — — CN disclosed
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