SCHEMBL28206995

SCHEMBL28206995

CN(N)S(=O)(=O)c1ccccc1.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.45
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL6431664 0.90 APOBEC3G (0.54) APOBEC3GHSD11B1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL3649982 0.88 APOBEC3G (0.52) APOBEC3GHSD11B1KMT2AMEN1KDM4E
Water SCHEMBL28287017 0.86 APOBEC3G (0.50) APOBEC3GHSD11B1KMT2AMEN1KDM4E
SCHEMBL474123 0.74 APOBEC3G (0.50) APOBEC3GHSD11B1KMT2AMEN1KDM4E
Methylphenylsulfone SCHEMBL28624441 0.73 PTGS2 (0.52) ALDH1A1TDP1HTR6
(Phenylsulfonyl)Benzene SCHEMBL312684 0.72 HTR6 (0.74) HSD11B1ALDH1A1CA12CA9TDP1
SCHEMBL26413509 0.72 APOBEC3G (0.58) APOBEC3GHSD11B1KMT2AMEN1KDM4E
SCHEMBL182738 0.72 LMNA (0.67) APOBEC3GHSD11B1KMT2AMEN1KDM4E
SCHEMBL3978127 0.72 APOBEC3G (0.58) APOBEC3GHSD11B1KMT2AMEN1KDM4E
(Phenylsulfonyl)Benzene SCHEMBL28023302 0.72 HTR6 (0.74) HSD11B1ALDH1A1CA12CA9TDP1

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
CN-107880234-A Preparation method of high-temperature-resistant polyurethane hot melt adhesive 烟台德邦科技有限公司 2018-04-06 CN disclosed