SCHEMBL29125724

SCHEMBL29125724

CCSc1ccccc1OCSCc1n[nH]c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PTGS2 P35354 4/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ NOTUM Q6P988 4/20 0.32
▸ SYK P43405 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL29125880 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAGAARXFP1
SCHEMBL29125977 0.84 MAPT (0.38) ALDH1A1SORT1NOTUM
SCHEMBL29125739 0.81 NOTUM (0.43) ALDH1A1NOTUMGAA
SCHEMBL29125812 0.76 ALDH1A1 (0.34) ALDH1A1KDM4ELMNASORT1NOTUM
SCHEMBL29125944 0.74 NOTUM (0.41) ALDH1A1KDM4ELMNASORT1ELANE
SCHEMBL29125967 0.74 NOTUM (0.37) ALDH1A1KDM4ELMNASORT1NOTUM
SCHEMBL24417342 0.72 SORT1 (0.49) SORT1NOTUM
SCHEMBL29125817 0.71 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAARXFP1
SCHEMBL29125949 0.71 ALDH1A1 (0.33) ALDH1A1KDM4ELMNASORT1SYK
SCHEMBL29125923 0.71 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAHTT

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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