SCHEMBL798267

SCHEMBL798267

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2cc(Cl)sn2)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 10/20 0.52
PFKFB4 Q16877 6/20 0.49
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL793780 0.86 PFKFB4 (0.57) PFKFB3PFKFB4MAPTTP53CASP6
SCHEMBL796409 0.86 PFKFB3 (0.66) PFKFB3PFKFB4CASP6
SCHEMBL794116 0.85 PFKFB4 (0.56) PFKFB3PFKFB4MAPTTP53CASP6
SCHEMBL794024 0.85 PFKFB3 (0.73) PFKFB3PFKFB4MAPTTP53
SCHEMBL793709 0.83 PFKFB4 (0.70) PFKFB3PFKFB4MAPTTP53CASP6
SCHEMBL794063 0.83 PFKFB4 (0.59) PFKFB3PFKFB4MAPT
SCHEMBL794137 0.83 PFKFB3 (0.57) PFKFB3PFKFB4CASP6
SCHEMBL795010 0.82 PFKFB3 (0.68) PFKFB3PFKFB4MAPTTP53LMNA
SCHEMBL794168 0.82 PFKFB3 (0.60) PFKFB3PFKFB4MAPTTP53LMNA
SCHEMBL794521 0.82 PFKFB4 (0.57) PFKFB3PFKFB4MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed