SCHEMBL7015708

SCHEMBL7015708

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
PDE5A O76074 6/20 0.38
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CTNNB1 P35222 2/20 0.35
TCF7L2 Q9NQB0 2/20 0.35

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
SCHEMBL7018702 0.93 JAK2 (0.39) METJAK2JAK3PTK2PDE5A
SCHEMBL7017521 0.93 HRH4 (0.41) PDE5AHRH4CTNNB1TCF7L2
SCHEMBL7015295 0.92 MET (0.40) METJAK2JAK3PTK2PDE5A
SCHEMBL7018514 0.92 MET (0.38) METJAK2JAK3PTK2PDE5A
SCHEMBL7018675 0.91 MET (0.43) METJAK2JAK3PTK2
SCHEMBL7018879 0.90 PDE5A (0.42) METJAK2JAK3PTK2PDE5A
SCHEMBL8184659 0.90 MAPT (0.45) METJAK2JAK3PTK2PDE5A
SCHEMBL7019169 0.89 PDE5A (0.39) PDE5AALDH1A1PDE3BPDE3ACTNNB1
SCHEMBL7017176 0.89 CTNNB1 (0.46) HRH4CTNNB1TCF7L2
SCHEMBL7015106 0.88 PDE5A (0.38) PDE5AHRH4KDM4EALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed