SCHEMBL29199022

SCHEMBL29199022

O=C=NCCCCn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29199059 0.98 TSHR (0.36) TSHRHTTTP53XBP1RAB9A
SCHEMBL23466837 0.98 TSHR (0.36) TSHRHTTTP53XBP1RAB9A
SCHEMBL29199040 0.98 TSHR (0.36) TSHRHTTTP53XBP1RAB9A
SCHEMBL2026922 0.98 TSHR (0.36) TSHRHTTTP53XBP1RAB9A
SCHEMBL29060443 0.95 TSHR (0.32) TSHRHTTTP53XBP1RAB9A
SCHEMBL28899632 0.87
SCHEMBL29010746 0.84 APEX1 (0.41) TSHRHTTTP53XBP1RAB9A
SCHEMBL2345439 0.80 NAAA (0.34) TP53
SCHEMBL1264821 0.80 NAAA (0.34) TP53
SCHEMBL2540073 0.80 NAAA (0.34) TP53

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-117736377-A Dual-image orthogonal storage material, and preparation method and application thereof 华中科技大学 2024-03-22 CN disclosed