SCHEMBL2772880

SCHEMBL2772880

O=S(=O)(O)c1ccc2c(c1)CC(Nc1ncc(C(F)(F)F)cc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.41
HCRTR1 O43613 1/20 0.40

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
SCHEMBL2772039 0.85 MEN1 (0.46) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL2776092 0.83 POLB (0.49) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL2774832 0.81 MEN1 (0.47) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL294734 0.80 MEN1 (0.50) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL2776020 0.80 KDM4E (0.46) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL2774088 0.79 MEN1 (0.41) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL293567 0.78 KMT2A (0.45) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL295244 0.78 KMT2A (0.47) MEN1KMT2ATDP1CA1CA2
SCHEMBL295358 0.78 MEN1 (0.46) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL362659 0.77 MEN1 (0.40) MEN1KMT2ATDP1MAPTSMN1; SMN2

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
US-8344004-B2 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2013-01-01 US disclosed
EP-2240474-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009080223-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed