SCHEMBL30034185

SCHEMBL30034185

Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(Nc3ccccc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.62
▸ HTR2C P28335 2/20 0.58
▸ BCDIN3D Q7Z5W3 9/20 0.58
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL23579838 1.00 PDE5A (0.62) PDE5AHTR2CBCDIN3DTP53MAPT
SCHEMBL23580247 0.92 BCDIN3D (0.65) PDE5AHTR2CBCDIN3DMAPT
SCHEMBL30033469 0.87 CA1 (0.60) HTR2CBCDIN3DMAPT
SCHEMBL23579931 0.87 CA1 (0.60) HTR2CBCDIN3DMAPT
SCHEMBL23579807 0.86 CA1 (0.62) HTR2CBCDIN3DMAPT
SCHEMBL30034104 0.84 BCDIN3D (0.57) PDE5AHTR2CBCDIN3DTP53MAPT
SCHEMBL23580265 0.84 BCDIN3D (0.56) BCDIN3DMAPT
SCHEMBL23579582 0.84 BCDIN3D (0.57) PDE5AHTR2CBCDIN3DTP53MAPT
SCHEMBL23579870 0.82 BCDIN3D (0.52) HTR2CBCDIN3DMAPT
SCHEMBL23579698 0.82 PDE2A (0.55) HTR2CBCDIN3DTP53

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
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 — — CN disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 — — EP disclosed
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