SCHEMBL27675437

SCHEMBL27675437

O=CC(=O)CCc1nc(NCc2cccc([N+](=O)[O-])c2)c2cc([N+](=O)[O-])sc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PDE5A O76074 3/20 0.44
▸ EGFR P00533 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ PTPN1 P18031 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL27675408 0.91 MEN1 (0.39) PDE5AEGFRALDH1A1MEN1MAPT
SCHEMBL27655451 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28763109 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27655549 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27655447 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27655445 0.86 ATG4B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27675500 0.85 ACHE (0.45) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL27655635 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27675464 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27675452 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B

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-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
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