SCHEMBL8824902

SCHEMBL8824902

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HSD11B1 P28845 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
SCHEMBL8824901 0.79 PFKFB3 (0.30) PFKFB3
SCHEMBL14419778 0.76 LMNA (0.41) MEN1KMT2A
SCHEMBL7806579 0.76
SCHEMBL7461587 0.76 CA2 (0.52)
SCHEMBL6494935 0.76 PTGS2 (0.42)
SCHEMBL20743665 0.75 NEK1 (0.50) MAPTPKM
SCHEMBL14861465 0.74 MMP1 (0.35) MAPT
SCHEMBL2028396 0.74 ADH5 (0.32)
SCHEMBL14194264 0.73 ALDH1A1 (0.31)
SCHEMBL13411813 0.72 ADH5 (0.36)

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