SCHEMBL30454036

SCHEMBL30454036

Cc1cc(C)c(COc2cc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)cnc2N)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.57
▸ MERTK Q12866 6/20 0.57
▸ AXL P30530 5/20 0.55
▸ AVPR2 P30518 1/20 0.50
▸ AVPR1A P37288 1/20 0.50
▸ MBTD1 Q05BQ5 2/20 0.47
▸ L3MBTL3 Q96JM7 2/20 0.47
▸ TP53BP1 Q12888 1/20 0.47
▸ L3MBTL4 Q8NA19 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ATR Q13535 1/20 0.46

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
SCHEMBL488413 1.00 MET (0.57) METMERTKAXLAVPR2AVPR1A
SCHEMBL30454817 0.91 MET (0.57) METMERTKAXLAVPR2AVPR1A
SCHEMBL488574 0.91 MET (0.57) METMERTKAXLAVPR2AVPR1A
SCHEMBL10217500 0.90 MERTK (0.59) METMERTKAXLAVPR2AVPR1A
SCHEMBL10217763 0.88 MET (0.61) METMERTKAXLAVPR2AVPR1A
SCHEMBL30453025 0.87 MET (0.56) METMERTKAXLAVPR2AVPR1A
SCHEMBL488733 0.87 MET (0.56) METMERTKAXLAVPR2AVPR1A
SCHEMBL30453045 0.87 MET (0.62) METMERTKAXLMBTD1L3MBTL3
SCHEMBL487552 0.87 MET (0.62) METMERTKAXLMBTD1L3MBTL3
SCHEMBL10217463 0.87 MET (0.54) METMERTKAXLAVPR2AVPR1A

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
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