SCHEMBL30140903

SCHEMBL30140903

COc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 1.00
CLK4 Q9HAZ1 3/20 0.80
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
USP2 O75604 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 1/20 0.69

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
SCHEMBL31066913 1.00 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL678438 1.00 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7502732 0.90 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7501078 0.86 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7493988 0.85 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7497088 0.84 PDE5A (0.72) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7504986 0.84 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL7499068 0.84 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL31034788 0.83 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL2458882 0.83 PDE5A (1.00) PDE5ACLK4MEN1KMT2AALDH1A1

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-2023149407-A1 LUNG MESENCHYMAL CELLS AND METHOD FOR PRODUCING LUNG MESENCHYMAL CELLS 国立大学法人京都大学 2023-08-10 WO disclosed
WO-2023286852-A1 STRUCTURE AND USE THEREOF 株式会社セルファイバ 2023-01-19 WO disclosed