SCHEMBL24784236

SCHEMBL24784236

O=C1NCCCc2cc(NI)ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
PARP11 Q9NR21 9/20 0.47
PARP10 Q53GL7 9/20 0.47
GSK3B P49841 1/20 0.45
GRM5 P41594 2/20 0.41
PARP1 P09874 2/20 0.41
PDPK1 O15530 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
PTK2 Q05397 1/20 0.39
PTK2B Q14289 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL25124517 0.84 PARP10 (0.51) MKNK1PARP11PARP10GSK3BGRM5
SCHEMBL25124516 0.82 PARP11 (0.49) MKNK1PARP11PARP10GSK3BGRM5
SCHEMBL17797707 0.81 GSK3B (0.51) MKNK1PARP11PARP10GSK3BGRM5
SCHEMBL2995459 0.79 PARP10 (0.51) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL5258588 0.76 MAOA (0.59) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL1888691 0.76 PARP10 (0.60) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL23160447 0.76 PARP10 (0.60) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL1952871 0.76 CASP1 (0.53) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL12090727 0.76 PARP10 (0.81) PARP11PARP10GSK3BGRM5PARP1
SCHEMBL17797572 0.76 PARP10 (0.81) PARP11PARP10GSK3BGRM5PARP1

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-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed