SCHEMBL5229337

SCHEMBL5229337

O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)sc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
NR1D1 P20393 2/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SERPINE1 P05121 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL5230003 0.87 PGR (0.51) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL5232320 0.82 PTPN1 (0.48) CYP19A1KMT2AMEN1LMNAMAPT
SCHEMBL5227868 0.77 PGR (0.54) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL5235312 0.75 RORC (0.50) KMT2AMEN1MAPTNPSR1PSEN1
SCHEMBL5228751 0.74 NR1H3 (0.45) KMT2ALMNAMAPTNR1H3ALDH1A1
SCHEMBL5229096 0.74 KMT2A (0.46) CYP19A1KMT2AMEN1LMNAMAPT
SCHEMBL5230626 0.72 VCAM1 (0.42) KMT2AMEN1MAPTALDH1A1PGR
SCHEMBL5478547 0.71 LMNA (0.54) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL5227914 0.70 CDK1 (0.53) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL5231680 0.68 KCNA5 (0.52) KMT2AMEN1LMNAMAPTNR1H3

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