SCHEMBL28456751

SCHEMBL28456751

Cc1ccc(S(=O)(=O)N(C#N)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
HIF1A Q16665 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
MCOLN3 Q8TDD5 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
SCHEMBL28447555 0.84 KDM4E (0.57) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL20916443 0.79 CA12 (0.60) KDM4ETDP1ALDH1A1HTTNFE2L2
SCHEMBL9299570 0.77 PKM (0.52) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL28455376 0.77 KDM4E (0.62) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL30285113 0.75 HTT (0.66) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL27910100 0.73 ALDH1A1 (0.67) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL8824675 0.73 ALDH1A1 (0.56) TDP1ALDH1A1LMNATSHRACHE
SCHEMBL30883192 0.73 TSHR (0.55) TDP1ALDH1A1LMNAHTTTSHR
SCHEMBL9299671 0.72 KMT2A (0.49) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL9703044 0.72 LMNA (0.60) ALDH1A1LMNAHTTHPGDSMN1; SMN2

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-111533694-B Synthetic method of 2-imido hydantoin compound 河南牧业经济学院 2023-03-14 CN disclosed
CN-111533694-A Synthetic method of 2-imido hydantoin compound 河南牧业经济学院 2020-08-14 CN disclosed