SCHEMBL28463181

SCHEMBL28463181

CC(C#N)n1nccc1B(O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL3663108 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22143656 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL14846372 0.74 L3MBTL1 (0.48) ALDH1A1
SCHEMBL28723687 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15412195 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22125840 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL29232730 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22125635 0.65 ALDH1A1 (0.40) ALDH1A1
SCHEMBL323237 0.65 — —
SCHEMBL3716606 0.64 GRM2 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763217-B Thieno-nitrogen heterocyclic compounds, preparation method and application 上海凌达生物医药有限公司 2022-06-28 — — CN disclosed
CN-111763217-A Thieno-nitrogen heterocyclic compound, preparation method and application 上海凌达生物医药有限公司 2020-10-13 — — CN disclosed
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