SCHEMBL29199338

SCHEMBL29199338

Nc1ccccc1SCCOC(=O)c1ccccc1C(=O)OCCSc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ HSD17B10 Q99714 9/20 0.53
▸ TSHR P16473 7/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51

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
SCHEMBL3306592 0.87 NPC1 (0.49) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL27294411 0.86 TDP1 (0.54) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL8745095 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL1805376 0.77 ALDH1A1 (0.80) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL1286846 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL11234922 0.75 MEN1 (0.52) ALDH1A1HSD17B10TSHRNPC1TDP1
Ethylene SCHEMBL2585227 0.74 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL1792977 0.74 ALDH1A1 (0.81) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL1799959 0.74 ALDH1A1 (0.81) ALDH1A1HSD17B10TSHRNPC1TDP1
SCHEMBL8062116 0.73 ALDH1A1 (0.68) ALDH1A1HSD17B10TSHRNPC1TDP1

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-117903035-A Maleimide resin, process for producing the same, 3D-printable maleimide resin composition, process for producing the same, and device produced therefrom 上海信斯帝克新材料有限公司 2024-04-19 — — CN disclosed
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