SCHEMBL5807881

SCHEMBL5807881

Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 11/20 1.00
▸ NPC1 O15118 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ MAPT P10636 14/20 0.79
▸ ALDH1A1 P00352 11/20 0.79
▸ SMN1; SMN2 Q16637 7/20 0.79
▸ HTT P42858 6/20 0.79
▸ POLB P06746 5/20 0.79
▸ LMNA P02545 5/20 0.79
▸ MITF O75030 4/20 0.79
▸ KLF5 Q13887 1/20 0.79
▸ L3MBTL1 Q9Y468 7/20 0.76
▸ KDM4E B2RXH2 4/20 0.76
▸ HPGD P15428 2/20 0.76
▸ CDC25A P30304 2/20 0.70
▸ CDC25B P30305 2/20 0.70
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ GAA P10253 4/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63

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
SCHEMBL4874221 0.99 APAF1 (0.97) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16297187 0.88 APAF1 (1.00) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL7247303 0.87 MAPT (0.97) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296848 0.86 APAF1 (0.79) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296847 0.86 APAF1 (0.79) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296946 0.86 MAPT (0.79) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296652 0.86 MAPT (0.79) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16297222 0.85 APAF1 (0.74) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL13283197 0.85 APAF1 (0.74) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL7246128 0.84 MAPT (0.76) APAF1NPC1RAB9AMAPTALDH1A1

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
WO-2006011136-A9 NOVEL NAPHTHOQUINONE DERIVATIVES AND USES THEREOF VELOPMENT AUTHORITY BEN GURION (IL) 2006-04-27 — — WO disclosed
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