SCHEMBL29022165

SCHEMBL29022165

COc1cc(-c2cc(Cl)ccc2-n2cnnn2)c(OC)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 14/20 0.49
▸ KLKB1 P03952 14/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ MARS1 P56192 1/20 0.43

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
SCHEMBL30453237 1.00 F11 (0.49) F11KLKB1KMT2AALDH1A1TSHR
SCHEMBL29227903 0.87 F11 (0.46) F11KLKB1KMT2A
SCHEMBL30995012 0.87 F11 (0.46) F11KLKB1KMT2A
SCHEMBL30499861 0.82 F11 (0.48) F11KLKB1KMT2AALDH1A1TSHR
SCHEMBL29479366 0.81 F11 (0.48) F11KLKB1
SCHEMBL21357425 0.81 F11 (0.48) F11KLKB1
SCHEMBL29227939 0.80 F11 (0.45) F11KLKB1KMT2AALDH1A1TSHR
SCHEMBL30995053 0.80 F11 (0.45) F11KLKB1KMT2AALDH1A1TSHR
SCHEMBL16971478 0.80 KMT2A (0.43) F11KLKB1KMT2AALDH1A1TSHR
SCHEMBL29089482 0.80 F11 (0.39) F11KLKB1

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-116283908-A N-aromatic methyl pyridone derivative and preparation method and application thereof 合肥工业大学 2023-06-23 — — CN disclosed
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