SCHEMBL29125933

SCHEMBL29125933

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 2/20 0.39
▸ MTNR1B P49286 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL30788470 1.00 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125878 0.85 NOTUM (0.44) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL30788519 0.85 NOTUM (0.44) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL30788489 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125704 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30800061 0.76 POLB (0.36) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29128462 0.76 POLB (0.36) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125941 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125719 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125837 0.68 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10

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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