SCHEMBL5228928

SCHEMBL5228928

O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NR1H3 Q13133 1/20 0.50
TYMS P04818 1/20 0.48
AR P10275 2/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ESR2 Q92731 1/20 0.47
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5229993 0.88 PPARG (0.55) MEN1KMT2ANR1H3TYMSAR
SCHEMBL12334559 0.85 HSD11B1 (0.64) MEN1KMT2ANR1H3RORARORC
SCHEMBL5230095 0.82 PRMT1 (0.52) MEN1KMT2ATYMSARPGR
SCHEMBL2567685 0.81 NR1H3 (0.71) MEN1KMT2ANR1H3ARNR3C1
SCHEMBL5231919 0.77 MEN1 (0.60) MEN1KMT2ARORARORCRORB
SCHEMBL5229467 0.77 MEN1 (0.60) MEN1KMT2ARORARORCRORB
SCHEMBL29039874 0.75 HSD11B1 (0.62) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL5232052 0.75 TYMS (0.56) MEN1KMT2ATYMSPGRALDH1A1
SCHEMBL7572845 0.75 KMT2A (0.67) MEN1KMT2ANR1H3ARCA1
SCHEMBL12334083 0.74 MEN1 (1.00) MEN1KMT2ARORARORCRORB

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