SCHEMBL11259653

SCHEMBL11259653

CC(=O)c1cc([N+](=O)[O-])c(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP47 Q96K76 6/20 0.52
USP7 Q93009 9/20 0.51
PADI4 Q9UM07 1/20 0.50
USP10 Q14694 1/20 0.47
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL11458447 0.84 CA1 (0.42) USP47USP7MEN1KMT2AGPR35
SCHEMBL3880847 0.81 USP10 (0.47) USP10MAPK1MEN1KMT2AALDH1A1
SCHEMBL10252646 0.80 USP47 (0.54) USP47USP7PADI4USP10CLK1
SCHEMBL10533619 0.79 USP47 (0.52) USP47USP7PADI4USP10CLK1
SCHEMBL2681454 0.79 USP7 (0.58) USP47USP7PADI4USP10CLK1
SCHEMBL3878737 0.78 USP10 (0.56) USP10KMT2AALDH1A1
SCHEMBL10740022 0.76 USP47 (0.65) USP47USP7PADI4USP10CLK1
SCHEMBL10747018 0.75 USP47 (0.52) USP47USP7PADI4USP10CLK1
SCHEMBL10744474 0.75 USP47 (0.49) USP47USP7PADI4USP10MAPK1
SCHEMBL2681089 0.74 USP7 (0.77) USP47USP7PADI4USP10GAA

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
US-4366321-A Preparation of 2-halo-3-nitro-5-acyl thiophenes and intermediate compounds EASTMAN KODAK COMPANY (US) 1982-12-28 US disclosed