SCHEMBL9618992

SCHEMBL9618992

O=C1C(=Cc2ccccc2)SC(=S)N1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DUSP22 Q9NRW4 9/20 0.54
CISD1 Q9NZ45 2/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CFTR P13569 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DUSP3 P51452 2/20 0.50
BCL2 P10415 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL9618990 0.80 MEN1 (0.56) DUSP22CFTRMEN1KMT2AALDH1A1
SCHEMBL9618989 0.80 MEN1 (0.56) DUSP22CFTRMEN1KMT2AALDH1A1
SCHEMBL10035996 0.77 DUSP22 (0.77) DUSP22CISD1MAOAMAOBMEN1
SCHEMBL9917038 0.77 DUSP22 (0.77) DUSP22CISD1MAOAMAOBMEN1
SCHEMBL12123516 0.77 DUSP22 (0.77) DUSP22CISD1MAOAMAOBMEN1
SCHEMBL1326790 0.76 CFTR (0.69) DUSP22CFTRBCL2
SCHEMBL8535665 0.76 CISD1 (0.60) DUSP22CISD1MAOAMAOBMEN1
SCHEMBL9120921 0.75 DUSP22 (0.64) DUSP22CFTRMEN1KMT2AALDH1A1
SCHEMBL1326100 0.74 CFTR (0.57) CFTRMEN1KMT2AALDH1A1MAPT
SCHEMBL6279044 0.70 HTRA2 (0.71) MEN1KMT2AALDH1A1MAPTHTT

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-0300382-B1 PHOTOGRAPHIC EMULSION AND ELEMENT EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-01-08 EP disclosed
EP-0300382-A1 Photographic emulsion and element EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-25 EP disclosed