SCHEMBL29125826

SCHEMBL29125826

S=c1[nH]nc(CSCC(Cl)COc2ccc(Cl)cc2Cl)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ LMNA P02545 3/20 0.70
▸ HPGD P15428 6/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 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
SCHEMBL29125784 0.87 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHPGDTP53
SCHEMBL29125956 0.82 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL11353689 0.78 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125963 0.75 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125959 0.73 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125675 0.69 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHPGDTP53
SCHEMBL29125823 0.68 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30788470 0.67 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125933 0.67 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL11352797 0.66 ALDH1A1 (0.63) 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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