SCHEMBL8185259

SCHEMBL8185259

O=C(O)c1ccc(-c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc([N+](=O)[O-])sc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.60
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8182076 0.92 MEN1 (0.54) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8179259 0.91 PDE5A (0.55) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8184297 0.90 PDE5A (0.59) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8180049 0.90 PDE5A (0.59) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8177662 0.89 PDE5A (0.57) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL5128123 0.88 PDE5A (0.60) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8177295 0.88 PDE5A (0.56) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8185246 0.86 MEN1 (0.45) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8179818 0.85 FYN (0.44) PDE5AMEN1KMT2AMAPTPOLB
SCHEMBL8180899 0.85 MEN1 (0.52) PDE5AMEN1KMT2AMAPTALDH1A1

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed