SCHEMBL30499861

SCHEMBL30499861

COc1cnccc1-c1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 12/20 0.48
▸ KLKB1 P03952 12/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ MARS1 P56192 1/20 0.44
▸ IDH1 O75874 1/20 0.43
▸ LMNA P02545 1/20 0.41

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
SCHEMBL30995033 0.84 MARS1 (0.44) F11KLKB1ALDH1A1MARS1
SCHEMBL30995075 0.84 MARS1 (0.44) F11KLKB1ALDH1A1MARS1
SCHEMBL30453237 0.82 F11 (0.49) F11KLKB1ALDH1A1TSHRKMT2A
SCHEMBL29022165 0.82 F11 (0.49) F11KLKB1ALDH1A1TSHRKMT2A
SCHEMBL30995028 0.81 F11 (0.47) F11KLKB1
SCHEMBL30995006 0.77 ALDH1A1 (0.49) F11ALDH1A1MARS1
SCHEMBL30623106 0.77 F11 (0.48) F11KLKB1
SCHEMBL29062100 0.76 F11 (0.52) F11KLKB1ALDH1A1TSHRUSP2
SCHEMBL30408842 0.76 F11 (0.52) F11KLKB1ALDH1A1TSHRUSP2
SCHEMBL30995012 0.74 F11 (0.46) F11KLKB1KMT2A

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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