SCHEMBL29207385

SCHEMBL29207385

[CH2]CCS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL3421644 0.85 HTR6 (0.45) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL246716 0.77 PSIP1 (0.56) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL20904616 0.76 PSIP1 (0.48) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL18562275 0.76 HTR6 (0.42) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL2440752 0.73 HTR6 (0.45) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL29207376 0.72 TDP1 (0.37) HTR6PSIP1ALDH1A1SMN1; SMN2CA1
SCHEMBL2839087 0.72 TDP1 (0.47) PSIP1ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL23430474 0.70 CA2 (0.48) ALDH1A1SMN1; SMN2CA2
SCHEMBL29114838 0.70 KEAP1 (0.46) ALDH1A1SMN1; SMN2TSHRHSD11B1KEAP1
SCHEMBL2229511 0.69 CA2 (0.40) ALDH1A1SMN1; SMN2CA2TDP1TSHR

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-113354811-B Oxazoline polymer with side chain containing amino and/or hydroxyl, preparation method and application thereof 华东理工大学 2024-05-07 — — CN disclosed
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