SCHEMBL28008307

SCHEMBL28008307

CCN(NC(N)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.42
NR1I2 O75469 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28252160 0.78 HSD11B1 (0.50) KMT2AKDM4EHSD11B1NR1I2MEN1
SCHEMBL14126507 0.78 APOBEC3G (0.45) KMT2AHSD11B1ESR1MEN1TSHR
SCHEMBL11513320 0.75 PTGES (0.42) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL30038589 0.75 HSD11B1 (0.49) KMT2AHSD11B1TDP1L3MBTL1ESR1
SCHEMBL11513450 0.75 APOBEC3G (0.42) KMT2AHSD11B1MEN1TSHRSMN1; SMN2
SCHEMBL16038164 0.73 TDP1 (0.45) KMT2AKDM4ETDP1ESR1NR1I2
SCHEMBL1670976 0.73 APOBEC3G (0.41) KMT2AHSD11B1MEN1ALDH1A1
SCHEMBL10789050 0.73 KMT2A (0.45) KMT2AHSD11B1ESR1MEN1LMNA
SCHEMBL11515768 0.73 PTGES (0.43) KMT2AHSD11B1L3MBTL1NR1I2MEN1
SCHEMBL11566554 0.71 HSD11B1 (0.45) KMT2AHSD11B1TDP1L3MBTL1ESR1

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-104662007-B Cystathionine gamma lyase (CSE) inhibitor 索瓦制药公司 2018-03-16 CN disclosed
CN-104662007-A Cystathionine-upsilon-lyase (cse) inhibitors SOVA PHARMACEUTICALS INC 2015-05-27 CN disclosed