Sugi Predict

Sugi Predict / Compounds / SCHEMBL30452920

SCHEMBL30452920

SCHEMBL30452920

CC(Oc1nc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.56
▸ ATR Q13535 4/20 0.50
▸ SMYD2 Q9NRG4 3/20 0.46
▸ CHEK2 O96017 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ IKBKB O14920 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
SCHEMBL488299 1.00 MET (0.56) METATRSMYD2CHEK2MAP4K4
SCHEMBL30453330 0.96 MET (0.62) METATRSMYD2CHEK2MAP4K4
SCHEMBL488485 0.96 MET (0.62) METATRSMYD2CHEK2MAP4K4
SCHEMBL30453089 0.96 MET (0.61) METATRCHEK2MAP4K4MAP4K3
SCHEMBL488531 0.96 MET (0.61) METATRCHEK2MAP4K4MAP4K3
SCHEMBL30452643 0.92 MET (0.62) METATRCHEK2MAP4K3MAPT
SCHEMBL488473 0.92 MET (0.62) METATRCHEK2MAP4K3MAPT
SCHEMBL30453345 0.91 MET (0.68) METATRCHEK2MAP4K4MAP4K3
SCHEMBL488463 0.91 MET (0.68) METATRCHEK2MAP4K4MAP4K3
SCHEMBL488699 0.90 MET (0.55) METATRSMYD2CHEK2MAP4K4

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 — — CN disclosed