SCHEMBL24153844

SCHEMBL24153844

O=C1CN(Cc2cnc(CNS(=O)(=O)c3cccc(OCC(F)F)c3)nc2)C(O)N1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 9/20 0.41
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ FBP1 P09467 1/20 0.31

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
SCHEMBL21536604 0.83 DUT (0.45) DUTALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL20351362 0.80 DUT (0.64) DUTHCRTR1HCRTR2
SCHEMBL21536601 0.78 DUT (0.45) DUTALDH1A1MAPTROCK2
SCHEMBL23996252 0.75 DUT (0.45) DUTALDH1A1ROCK2NPC1
SCHEMBL21536596 0.73 DUT (0.43) DUTALDH1A1ROCK2NPC1
SCHEMBL21536718 0.73 DUT (0.43) DUTALDH1A1ROCK2NPC1
SCHEMBL21536714 0.72 DUT (0.49) DUTALDH1A1MAPT
SCHEMBL21536566 0.72 DUT (0.45) DUTALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL21536677 0.71 DUT (0.46) DUTALDH1A1MAPTROCK2
SCHEMBL21536736 0.71 DUT (0.44) DUTL3MBTL1ROCK2

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-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 — — WO disclosed
Send feedback