SCHEMBL29125883

SCHEMBL29125883

S=c1[nH]nc(CSc2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.57
▸ BACE1 P56817 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GALK1 P51570 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ GFER P55789 1/20 0.41

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
SCHEMBL29125990 0.80 NOTUM (0.46) ALDH1A1HSD17B10LMNAGAASMN1; SMN2
SCHEMBL7023603 0.74 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL29125788 0.72 ALDH1A1 (1.00) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125903 0.71 ALDH1A1 (0.88) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125792 0.71 ALDH1A1 (0.56) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125766 0.70 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29125909 0.69 ALDH1A1 (0.57) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125972 0.68 ALDH1A1 (0.66) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125837 0.68 ALDH1A1 (0.50) ALDH1A1BACE1HSD17B10LMNAHPGD
SCHEMBL29125896 0.67 ALDH1A1 (0.55) ALDH1A1BACE1HSD17B10LMNAHPGD

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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