SCHEMBL27596089

SCHEMBL27596089

C=CN(CC(=O)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.40
USP2 O75604 3/20 0.40
GSK3B P49841 2/20 0.40
PTPN1 P18031 2/20 0.40
TRPA1 O75762 1/20 0.40
HIF1A Q16665 1/20 0.40
AKT1 P31749 1/20 0.40
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL27647312 0.84 KMT2A (0.51) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL11310955 0.74 ALDH1A1 (0.51) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL4441748 0.74 CA2 (0.44) KMT2ATDP1MEN1ALDH1A1HSD11B1
SCHEMBL28753955 0.72 CTSL (0.50) KMT2ASMN1; SMN2ALDH1A1LMNAATM
SCHEMBL27614871 0.71 ALDH1A1 (0.50) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL1081063 0.70 KDM4E (0.49) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL11288690 0.69 GSK3B (0.62) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL11754044 0.69 KDM4E (0.54) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL15282567 0.68 ALDH1A1 (0.45) MAPTKMT2AKDM4EMAPK1TDP1
SCHEMBL12559833 0.67 MAPT (0.52) MAPTKMT2AKDM4EMAPK1TDP1

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
CN-100484928-C thiadiazoline derivatives KYOWA HAKKO KOGYO KK FUJI PHOT (JP) 2009-05-06 CN disclosed
CN-1617864-A thiadiazoline derivatives KYOWA HAKKO KOGYO KK (JP) 2005-05-18 CN disclosed