Sugi Predict

Sugi Predict / Compounds / SCHEMBL30453810

SCHEMBL30453810

SCHEMBL30453810

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1ccc(C(N)=O)c(CCc2cccc(O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.55
▸ MERTK Q12866 9/20 0.48
▸ AXL P30530 8/20 0.48
▸ AVPR2 P30518 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ MBTD1 Q05BQ5 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATR Q13535 1/20 0.38

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
SCHEMBL487976 1.00 MET (0.55) METMERTKAXLAVPR2AVPR1A
SCHEMBL488874 0.89 MET (0.61) METMERTKAXLATR
SCHEMBL30452853 0.89 MET (0.61) METMERTKAXLATR
SCHEMBL6437420 0.88 MERTK (0.49) METMERTKAXLAVPR2AVPR1A
SCHEMBL487978 0.86 MET (0.56) METMERTKAXLAVPR2AVPR1A
SCHEMBL5930593 0.85 MET (0.55) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL488368 0.84 MET (0.54) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL30453096 0.84 MET (0.54) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL30453313 0.81 MET (0.56) METMERTKAXLMBTD1L3MBTL3
SCHEMBL488311 0.81 MET (0.56) METMERTKAXLMBTD1L3MBTL3

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