SCHEMBL21279655

SCHEMBL21279655

Cc1cc(C2CC2)nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ PDE8B O95263 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL2737908 1.00 HPGD (0.39) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL2737942 0.90 PDE8B (0.40) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL2737925 0.88 GPR119 (0.38) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL2737945 0.88 ABCB1 (0.41) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL22175827 0.87 PDE8B (0.37) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL22164263 0.87 PDE8B (0.37) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL2737976 0.86 PDE8B (0.39) HPGDGAAPDE8BALDH1A1L3MBTL1
SCHEMBL2737944 0.85 ABCB1 (0.41) HPGDPDE8BALDH1A1L3MBTL1MEN1
SCHEMBL15317015 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL21279696 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2ATSHR

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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