SCHEMBL28439744

SCHEMBL28439744

O=S(=O)(NC12CC3(NS(=O)(=O)c4ccccc4)CC(NS(=O)(=O)c4ccccc4)(C1)CC(NS(=O)(=O)c1ccccc1)(C2)C3)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
KEAP1 Q14145 3/20 0.48
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
GBA1 P04062 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 1/20 0.42

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
SCHEMBL21615437 0.85 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL17133480 0.80 MAPK1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL30367796 0.80 MMP1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL21612213 0.80 KMT2A (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL812701 0.79 LMNA (0.71) CA1CA2MMP1MMP2MMP9
SCHEMBL17132574 0.76 ALDH1A1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL31143737 0.75 HDAC8 (0.61) ALDH1A1MAPK1LMNAHTR6
SCHEMBL8514374 0.75 PARG (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL10889524 0.72 GAA (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL6439295 0.72 GAA (0.48) CA1CA2MMP1MMP2MMP9

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-109096539-B Flame retardant and preparation method thereof, and polycarbonate composite material and preparation method thereof 广东工业大学 2020-08-07 CN claimed
CN-109096539-B Flame retardant and preparation method thereof, and polycarbonate composite material and preparation method thereof 广东工业大学 2020-08-07 CN disclosed