SCHEMBL7495191

SCHEMBL7495191

O=[N+]([O-])c1cccc2c1Nc1ccccc1CS2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
LMNA P02545 2/20 0.39
TDP2 O95551 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
SNCA P37840 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11447667 0.80 LMNA (0.52) ACHELMNATDP2CASP7CASP9
SCHEMBL11449600 0.78 ALDH1A1 (0.46) ACHELMNATDP2CASP7CASP9
SCHEMBL3953679 0.78 SNCA (0.55) ACHELMNATDP2CASP7CASP9
SCHEMBL7494054 0.78 AHR (0.44) ACHETDP2CASP7CASP9CASP6
SCHEMBL32057233 0.78 SNCA (0.55) ACHELMNATDP2CASP7CASP9
SCHEMBL7496212 0.73 ALDH1A1 (0.44) ACHELMNATDP2CASP7CASP9
SCHEMBL4811332 0.71 ALDH1A1 (0.60) ACHELMNASNCAALDH1A1KMT2A
SCHEMBL30776836 0.71 ALDH1A1 (0.46) TDP2CASP7CASP9CASP6CASP8
SCHEMBL27198984 0.71 ALDH1A1 (0.46) TDP2CASP7CASP9CASP6CASP8
SCHEMBL9387094 0.68 TDP1 (0.39) ACHELMNATDP2CASP7CASP9

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
EP-0679641-B1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING EISAI CO LTD (JP) 2002-10-02 EP disclosed
EP-0679641-A1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING Eisai Co., Ltd. (JP) 1995-11-02 EP disclosed