SCHEMBL24967153

SCHEMBL24967153

O=C1Nc2ccc(NSc3ccc([N+](=O)[O-])cc3)cc2/C1=C/c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.56
NTRK1 P04629 1/20 0.52
GSK3B P49841 6/20 0.48
PDGFRB P09619 1/20 0.45
JAK3 P52333 1/20 0.45
APP P05067 2/20 0.44
MAPT P10636 2/20 0.44
SNCA P37840 2/20 0.44
PAK4 O96013 1/20 0.43
NOX4 Q9NPH5 1/20 0.42
RET P07949 3/20 0.42
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL24966370 0.87 PDPK1 (0.64) PDPK1NTRK1GSK3BJAK3PAK4
SCHEMBL24966374 0.86 NTRK1 (0.63) PDPK1NTRK1JAK3MAPTPAK4
SCHEMBL3751525 0.84 PDGFRB (0.62) PDPK1NTRK1GSK3BPDGFRBJAK3
SCHEMBL3751522 0.84 PDGFRB (0.62) PDPK1NTRK1GSK3BPDGFRBJAK3
SCHEMBL30155056 0.83 PDPK1 (0.67) PDPK1NTRK1GSK3BPDGFRBJAK3
SCHEMBL23369165 0.80 PDPK1 (0.71) PDPK1NTRK1GSK3BJAK3MAPT
SCHEMBL17674461 0.72 PDPK1 (1.00) PDPK1NTRK1JAK3MAPTPAK4
SCHEMBL17679291 0.72 PDPK1 (1.00) PDPK1NTRK1JAK3MAPTPAK4
SCHEMBL23369102 0.72 PDPK1 (1.00) PDPK1NTRK1JAK3MAPTPAK4
SCHEMBL5999571 0.72 PDPK1 (0.65) PDPK1NTRK1PDGFRBPAK4RET

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
WO-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 WO disclosed