SCHEMBL5227161

SCHEMBL5227161

COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH3A1 P30838 1/20 0.47
PGR P06401 2/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PLAU P00749 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
PPIA P62937 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GUSB P08236 1/20 0.43
PKM P14618 1/20 0.43
CYP19A1 P11511 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
SCHEMBL5227591 0.86 CDK1 (0.52) MEN1KMT2APGRLMNAGAA
SCHEMBL5237280 0.86 CES1 (0.49) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL5228023 0.85 CA2 (0.49) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL5230568 0.84 FFAR4 (0.47) MEN1KMT2AALDH3A1LMNAMAPK1
SCHEMBL5231082 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH3A1LMNAMAPK1
SCHEMBL5234203 0.84 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPK1GAA
SCHEMBL5228196 0.83 CA12 (0.49) MEN1KMT2APGRLMNAMAPK1
SCHEMBL21773303 0.82 ALDH1A1 (0.49) LMNAALDH1A1HPGDSMN1; SMN2GUSB
SCHEMBL5227928 0.81 MEN1 (0.50) MEN1KMT2ALMNAMAPK1GAA
SCHEMBL5233848 0.79 ACLY (0.39) MEN1KMT2AALDH1A1

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