SCHEMBL8824901

SCHEMBL8824901

O=[C]NS(=O)(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.30

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
SCHEMBL7461587 0.76 CA2 (0.52)
SCHEMBL6494935 0.76 PTGS2 (0.42)
SCHEMBL7806579 0.76
SCHEMBL14419778 0.76 LMNA (0.41)
SCHEMBL20743665 0.75 NEK1 (0.50)
SCHEMBL14194264 0.73 ALDH1A1 (0.31)
SCHEMBL13411813 0.72 ADH5 (0.36)
SCHEMBL19770602 0.71 PFKFB3 (0.47) PFKFB3
SCHEMBL19770585 0.71 HDAC4 (0.50) PFKFB3
SCHEMBL9661309 0.70 MEN1 (0.57)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US claimed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP claimed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed