SCHEMBL9229136

SCHEMBL9229136

O=[N+]([O-])c1ccc2c(c1)N(CCCS(=O)(=O)O)CS2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.34
▸ ACP1 P24666 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ESPL1 Q14674 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL4330783 0.77 MAPT (0.41) CASP1CASP7ALDH1A1MAPTLMNA
SCHEMBL5706407 0.75 MAPT (0.31) MAPTCYP3A4MEN1KMT2A
SCHEMBL9230927 0.74 KDM4E (0.31) MAPTCYP3A4
SCHEMBL5949996 0.72 TDP1 (0.40) CASP6SIRT2ALDH1A1SMN1; SMN2ESPL1
SCHEMBL27888371 0.72 ESPL1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL4567997 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4567999 0.71 LMNA (0.40) ALDH1A1SMN1; SMN2ESPL1MAPTGAA
SCHEMBL4567992 0.70 CNR1 (0.40) ALDH1A1ESPL1MAPTGAALMNA
Nitrogen SCHEMBL28845916 0.70 SIRT2 (0.39) CASP6SIRT2ALDH1A1SMN1; SMN2ESPL1
SCHEMBL28922224 0.69 MAPT (0.56) SMN1; SMN2MAPTHTTLMNACYP1A2

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
EP-0678774-A2 Deposition sensitized emulsions EASTMAN KODAK COMPANY (US) 1995-10-25 — — EP disclosed
Send feedback