SCHEMBL30788519

SCHEMBL30788519

O=c1[nH]nc(CSCOc2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.44
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MTNR1B P49286 2/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ DAO P14920 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL29125878 1.00 NOTUM (0.44) NOTUMMEN1KMT2AALDH1A1KDM4E
SCHEMBL30788470 0.85 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL29125933 0.85 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL30788544 0.80 MTNR1B (0.37) NOTUMALDH1A1MTNR1BMTNR1ASORT1
SCHEMBL29125727 0.80 MTNR1B (0.37) NOTUMALDH1A1MTNR1BMTNR1ASORT1
SCHEMBL29128406 0.79 DAO (0.39) ALDH1A1KDM4ELMNADAOPOLB
SCHEMBL30800064 0.79 DAO (0.39) ALDH1A1KDM4ELMNADAOPOLB
SCHEMBL29128456 0.72 RAB9A (0.35) ALDH1A1KDM4ELMNADAOMAPT
SCHEMBL30799833 0.72 RAB9A (0.35) ALDH1A1KDM4ELMNADAOMAPT
SCHEMBL29125821 0.68 SORT1 (0.44) NOTUMALDH1A1KDM4ELMNAMTNR1B

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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