SCHEMBL29125679

SCHEMBL29125679

CCC(Oc1ccccc1Br)SCc1n[nH]c(=S)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.45
▸ KDM4E B2RXH2 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ NCOA2 Q15596 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL29125930 0.87 SORT1 (0.35) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL29125915 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL29125909 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL29125711 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL29125732 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL29125974 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHSD17B10BACE1
SCHEMBL29125946 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHSD17B10BACE1
SCHEMBL29125940 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHSD17B10BACE1
SCHEMBL29125754 0.75 SORT1 (0.35) ALDH1A1
SCHEMBL29125828 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHSD17B10BACE1

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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