SCHEMBL10744151

SCHEMBL10744151

CCOC(=O)c1cc([N+](=O)[O-])c([S+](C)[O-])s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.53
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.41
MAPT P10636 7/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL10741826 0.85 USP10 (0.39) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL17977297 0.81 USP10 (0.58) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL7017708 0.80 USP10 (0.57) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL10747018 0.80 USP47 (0.52) USP10MAPT
SCHEMBL3878737 0.79 USP10 (0.56) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL28786633 0.79 USP10 (0.56) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL1455300 0.79 USP10 (0.56) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL3881580 0.76 USP10 (0.53) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL32685857 0.73 LMNA (0.57) USP10ALDH1A1LMNAPOLBNPSR1
SCHEMBL9050509 0.72 USP10 (0.49) USP10ALDH1A1LMNAPOLBNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4649154-A AGRICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1987-03-10 US disclosed
US-4451660-A AGRICULTURE, HORTICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-05-29 US disclosed
EP-0031173-B1 NEW NITROTHIOPHENES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS FUNGICIDAL AND/OR BACTERICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-09-14 EP disclosed
EP-0031173-A1 New nitrothiophenes, method of preparing the new compounds, as well as fungicidal and/or bactericidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-01 EP disclosed