SCHEMBL21279703

SCHEMBL21279703

Cc1[nH]c2cc(C3CCCCN3C(=O)OC(C)(C)C)nn2c(=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SPR P35270 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ TSHR P16473 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PTGES O14684 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CHEK2 O96017 1/20 0.34

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
SCHEMBL2737890 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL2737887 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL2737906 0.89 AADAT (0.39) ALDH1A1NPSR1MAPTLMNAGAA
SCHEMBL2737902 0.87 MAPT (0.32) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL2737901 0.87 MAPT (0.32) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL220358 0.86 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL9986923 0.86 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTLMNASPR
SCHEMBL17823266 0.85 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTLMNATSHR
SCHEMBL2737949 0.85 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTLMNATSHR
SCHEMBL2737898 0.85 MALT1 (0.39) NPSR1MAPTSPREPHX2

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
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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