SCHEMBL8558011

SCHEMBL8558011

CCOC(=O)c1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 4/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
THRB P10828 2/20 0.50
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
CYP2C19 P33261 1/20 0.45
MCL1 Q07820 1/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
BLM P54132 1/20 0.43
PLEC Q15149 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL9025944 0.97 MAPT (0.52) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL8556510 0.88 KDM4E (0.51) TP53MAPTKMT2AMEN1KDM4E
SCHEMBL9026868 0.87 MAPT (0.42) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL8555985 0.83 NR4A2 (0.54) MAPTKMT2ACYP2C9MEN1KDM4E
SCHEMBL8555034 0.82 ALDH1A1 (0.53) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL8556794 0.82 KMT2A (0.52) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL8560085 0.81 KDM4E (0.51) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL8555804 0.79 TP53 (0.46) TP53MAPTKMT2ATSHRCYP2C9
SCHEMBL23833719 0.78 ALDH1A1 (0.51) TP53MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8560630 0.77 MAPT (0.49) TP53MAPTKMT2ATSHRCYP2C9

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed