SCHEMBL5229526

SCHEMBL5229526

CC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 2/20 0.39
ALDH3A1 P30838 1/20 0.37
EPAS1 Q99814 2/20 0.36
VCAM1 P19320 3/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
NTRK1 P04629 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL5231082 0.79 ALDH1A1 (0.43) ALDH3A1MEN1PKMKMT2AALDH1A1
SCHEMBL5227146 0.76 LMNA (0.57) SMN1; SMN2VCAM1MEN1PKMKMT2A
SCHEMBL1939178 0.73 CA1 (0.37) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL5232126 0.73 EPAS1 (0.40) ALDH3A1EPAS1VCAM1MEN1PKM
SCHEMBL5231215 0.72 VCAM1 (0.40) SMN1; SMN2VCAM1MEN1KMT2AALDH1A1
SCHEMBL15880676 0.71 CA1 (0.53) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL5227180 0.70 LMNA (0.43) EPAS1VCAM1CA1CA2LMNA
SCHEMBL5227591 0.69 CDK1 (0.52) SMN1; SMN2MEN1PKMKMT2AALDH1A1
SCHEMBL7769090 0.69 TSHR (0.41) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL27633655 0.69 PARP1 (0.41) SMN1; SMN2VCAM1MEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed