SCHEMBL27144841

SCHEMBL27144841

COc1ccc(Sc2sc(CC=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 6/20 0.43
PADI4 Q9UM07 1/20 0.43
USP47 Q96K76 2/20 0.42
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APP P05067 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL3720903 0.85 USP7 (0.43) USP7PADI4USP47MAPTKDM4E
SCHEMBL3719648 0.84 USP7 (0.43) USP7PADI4USP47MAPTKDM4E
SCHEMBL3715750 0.84 USP7 (0.57) USP7PADI4USP47L3MBTL1POLB
SCHEMBL3723562 0.82 USP47 (0.43) USP7PADI4USP47MAPTKDM4E
SCHEMBL27154247 0.81 PDE7A (0.44) USP7PADI4USP47MAPTKDM4E
SCHEMBL3719961 0.81 USP7 (0.40) USP7PADI4USP47MAPTGAA
SCHEMBL3717084 0.80 USP7 (0.46) USP7PADI4USP47MAPTTDP1
SCHEMBL3712491 0.78 USP7 (0.56) USP7PADI4USP47
SCHEMBL3719652 0.76 USP7 (0.60) USP7PADI4USP47MAPTKMT2A
SCHEMBL27139432 0.76 USP7 (0.73) USP7PADI4USP47MAPTL3MBTL1

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
EP-4326327-A1 INHIBITORS OF UBIQUITIN SPECIFIC PEPTIDASE 22 (USP22) AND USES THEREOF FOR TREATING DISEASES AND DISORDERS Northwestern University (US) 2024-02-28 EP claimed
WO-2022226402-A1 INHIBITORS OF UBIQUITIN SPECIFIC PEPTIDASE 22 (USP22) AND USES THEREOF FOR TREATING DISEASES AND DISORDERS NORTHWESTERN UNIVERSITY (US) 2022-10-27 WO claimed