SCHEMBL29250145

SCHEMBL29250145

[N-]=[N+]=C1C(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc2C12c1ccc(N3CC(C(=O)N4CCOCC4)C3)cc1Oc1cc(N3CC(C(=O)N4CCOCC4)C3)ccc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.32
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ PRKDC P78527 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
SCHEMBL30112752 1.00 NOTUM (0.32) NOTUMHTTMEN1ALDH1A1KMT2A
SCHEMBL29250147 0.95 OPRM1 (0.32) OPRM1
SCHEMBL30112711 0.95 OPRM1 (0.32) OPRM1
SCHEMBL29250180 0.93 OPRM1 (0.34) OPRM1
SCHEMBL30112713 0.93 OPRM1 (0.34) OPRM1
SCHEMBL30112687 0.92 OPRM1 (0.31) OPRM1
SCHEMBL24942507 0.91 NOTUM (0.32) NOTUMHTTMEN1ALDH1A1KMT2A
SCHEMBL30112637 0.90 OPRM1 (0.33) NOTUMOPRM1
SCHEMBL29250150 0.90 NT5E (0.32) OPRM1
SCHEMBL30112704 0.90 NT5E (0.32) OPRM1

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-118339156-A 2-Diazo-3-oxo-2, 3-dihydrospiro [ indene-1, 9' -xanthene ] derivatives and similar compounds as photoactive fluorescent compounds for protein labelling 爱康治疗公司 2024-07-12 — — CN disclosed
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