SCHEMBL7368938

SCHEMBL7368938

CCCc1c2c(nn1C)C(=O)[N]C(c1sccc1OCC)=N2

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL7361790 0.79
SCHEMBL5201813 0.73 NPSR1 (0.41) KMT2APDE5AHPGD
SCHEMBL3453681 0.73 PDE5A (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL5078828 0.73 PDE5A (0.33) KMT2AMEN1PDE5AALDH1A1HPGD
SCHEMBL1913406 0.69 PDE5A (0.55) KMT2AMEN1PDE5AALDH1A1HPGD
SCHEMBL7449440 0.68 PDE5A (0.56) PDE5APDE1APDE1BPDE1C
SCHEMBL7428886 0.62 PDE5A (0.68) KMT2AMEN1PDE5AALDH1A1HPGD
SCHEMBL7359421 0.61 PDE5A (0.42) PDE5AALDH1A1PDE1APDE1BPDE1C
SCHEMBL23615906 0.58 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGD
SCHEMBL7360293 0.58 ALDH1A1 (0.39) KMT2AMEN1PDE5AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001003644-A9 PYRAZOLOPYRIMIDINONE DERIVATIVES CONJUGATED TO THIOPHENE MOIETIES OR BENZO [FUSED] 5-MEMBERED HETEROCYCLES FOR ERECTILE DYSFUNCTION PICOWER INST MED RES (US) 2001-11-29 WO disclosed
WO-2001003644-A2 PYRAZOLOPYRIMIDINONE DERIVATIVES CONJUGATED TO THIOPHENE MOIETIES OR BENZO [FUSED] 5-MEMBERED HETEROCYCLES FOR ERECTILE DYSFUNCTION THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-01-18 WO disclosed