SCHEMBL5229726

SCHEMBL5229726

O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Cl)c(O)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.71
CYP19A1 P11511 2/20 0.61
RAD51 Q06609 1/20 0.58
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B2 P37059 1/20 0.53
PTGS1 P23219 1/20 0.53
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
GOT1 P17174 1/20 0.51

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
SCHEMBL2944815 0.92 MGAM (0.76) MGAMCYP19A1RAD51NR3C1PGR
SCHEMBL2944131 0.87 MGAM (0.69) MGAMCYP19A1RAD51NR3C1NR3C2
SCHEMBL2952518 0.87 MGAM (0.80) MGAMCYP19A1RAD51NR3C1NR3C2
SCHEMBL2951061 0.85 MGAM (0.70) MGAMCYP19A1RAD51NR3C1PGR
SCHEMBL2952890 0.84 MGAM (0.75) MGAMCYP19A1RAD51NR3C1MEN1
SCHEMBL2947791 0.83 MGAM (0.84) MGAMCYP19A1RAD51NR3C1NR3C2
SCHEMBL5228650 0.83 CYP19A1 (0.70) MGAMCYP19A1RAD51MEN1KMT2A
SCHEMBL2951081 0.81 MGAM (0.67) MGAMCYP19A1RAD51NR3C1MEN1
SCHEMBL2949600 0.81 NR3C1 (0.67) MGAMCYP19A1RAD51NR3C1MEN1
SCHEMBL2951564 0.81 MGAM (0.66) MGAMCYP19A1RAD51NR3C1NR3C2

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