SCHEMBL30132569

SCHEMBL30132569

NCc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ P2RY1 P47900 2/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ SELE P16581 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL20608927 1.00 L3MBTL1 (0.46) L3MBTL1KDM4EBRD4MAPTNPSR1
SCHEMBL20554693 0.87 BRD4 (0.46) L3MBTL1KDM4EBRD4MAPTMAOB
SCHEMBL20554811 0.82 SLC6A4 (0.43) L3MBTL1KDM4EMAOBAOC3
SCHEMBL30132678 0.82 SLC6A4 (0.43) L3MBTL1KDM4EMAOBAOC3
SCHEMBL20554667 0.81 BRD4 (0.35) L3MBTL1KDM4EBRD4MAPTNPSR1
SCHEMBL26964320 0.80 L3MBTL1 (0.51) L3MBTL1KDM4EMAPTNPSR1KMT2A
SCHEMBL20554198 0.80 SCN9A (0.43) L3MBTL1BRD4MAPTMAOBAOC3
SCHEMBL20554646 0.79 ALDH1A1 (0.44) L3MBTL1KDM4EMAPTNPSR1KMT2A
SCHEMBL20554745 0.79 SLC40A1 (0.37) L3MBTL1KDM4EBRD4MAOBSCN9A
SCHEMBL30132530 0.79 SLC40A1 (0.37) L3MBTL1KDM4EBRD4MAOBSCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
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