SCHEMBL3128161

SCHEMBL3128161

CCCc1nn(C)c2c(OC)nc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.44
TERT O14746 2/20 0.40
PDE5A O76074 8/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE6C P51160 1/20 0.33

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
SCHEMBL3130798 0.87 PDE5A (0.44) MTORTERTPDE5AKMT2AMEN1
SCHEMBL2809986 0.81 PDE5A (0.43) MTORTERTPDE5AKMT2AMEN1
SCHEMBL2880591 0.73 ALDH1A1 (0.38) MTORTERTPDE5AKMT2AMEN1
SCHEMBL7993573 0.71 CYP1A2 (0.36)
SCHEMBL4042877 0.71 MTOR (0.39) MTORTERTPDE5AKMT2AMEN1
SCHEMBL5435892 0.70 PDE5A (0.40) MTORTERTPDE5AKMT2AMEN1
SCHEMBL2857503 0.68 PDE5A (0.38) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL4037518 0.68 PDE5A (0.36) MTORTERTPDE5AKMT2AMEN1
SCHEMBL3127667 0.68 PDE5A (0.61) MTORTERTPDE5AKMT2AMEN1
SCHEMBL4037512 0.67 PDE5A (0.38) MTORTERTPDE5AKMT2AMEN1

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-2168967-A1 INTERMEDIATES FOR PREPARATION OF AN INHIBITOR OF PHOSPHODIESTERASE TYPE 5 Galenicum Health, S.l. (ES) 2010-03-31 EP disclosed