SCHEMBL29125918

SCHEMBL29125918

CSc1cccc(OCCCSCc2n[nH]c(=S)[nH]2)c1SC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29126018 0.89 TSHR (0.39) LMNAHTTALDH1A1
SCHEMBL29125731 0.78 TTR (0.44) LMNAHTTKDM4EALDH1A1
SCHEMBL29125899 0.77 HTT (0.34) LMNAHTTKDM4EALDH1A1
SCHEMBL29125781 0.74 ALDH1A1 (0.52) LMNAHTTKDM4EALDH1A1
SCHEMBL29125703 0.74 TSHR (0.37) LMNAHTTKDM4EALDH1A1
SCHEMBL29125847 0.74 CYP1A2 (0.55) LMNAHTTKDM4EALDH1A1
SCHEMBL30788488 0.74 CYP1A2 (0.55) LMNAHTTKDM4EALDH1A1
SCHEMBL29125980 0.71 HTT (0.44) LMNAHTTKDM4EALDH1A1
SCHEMBL29125802 0.71 HTT (0.45) LMNAHTTKDM4EALDH1A1
SCHEMBL29125893 0.71 PTGS1 (0.36) LMNAHTTKDM4EALDH1A1

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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