SCHEMBL23653155

SCHEMBL23653155

Cc1nnc(Nc2cc(SNC3(C)CC3)ccc2[N+](=O)[O-])o1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3B P49841 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 2/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL23996915 0.82 ALDH1A1 (0.32) MAPTRAB9A
SCHEMBL23652885 0.79 POLB (0.37) MAPTKMT2AMEN1TDP1
SCHEMBL31121984 0.79 PARG (0.47)
SCHEMBL17845472 0.79 PARG (0.47)
SCHEMBL23996891 0.78 BCL2 (0.32) BCL2MAPTRAB9AL3MBTL1GSK3B
SCHEMBL23652896 0.78 MAPT (0.46) MAPTKMT2AMEN1MAPK1
SCHEMBL23652899 0.78 L3MBTL1 (0.49) MAPTL3MBTL1KMT2AMEN1MAPK1
SCHEMBL23652707 0.74 PARG (0.33) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL23653348 0.74 ALDH1A1 (0.33) KMT2AMEN1
SCHEMBL23653364 0.73 ALDH1A1 (0.44) MAPTRAB9AKMT2AMEN1MAPK1

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-3233845-B1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2021-07-21 EP disclosed