SCHEMBL6801145

SCHEMBL6801145

N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)C(=O)c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
CYP19A1 P11511 11/20 0.52
STS P08842 4/20 0.52
PDK1 Q15118 3/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.43
HTT P42858 1/20 0.42
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL6800721 0.88 MEN1 (0.63) CYP19A1STSPDK1MEN1NPC1
SCHEMBL6795598 0.87 MEN1 (0.60) CYP19A1STSPDK1MEN1NPC1
SCHEMBL27545484 0.85 GAA (0.61) GAATSHRPDK1MEN1NPC1
SCHEMBL6799801 0.84 GAA (0.62) GAATSHRCYP19A1PDK1MEN1
SCHEMBL6806249 0.81 CYP19A1 (0.57) CYP19A1STSCA1CA2CA9
SCHEMBL6800942 0.80 CYP19A1 (0.52) CYP19A1STSPDK1MEN1NPC1
SCHEMBL6800139 0.79 STS (0.55) GAATSHRCYP19A1STSPDK1
SCHEMBL6801408 0.78 MEN1 (0.55) CYP19A1STSPDK1MEN1NPC1
SCHEMBL6801380 0.75 CYP19A1 (0.62) CYP19A1STSCA1CA2CA9
SCHEMBL6801901 0.74 CYP19A1 (0.56) CYP19A1STSCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed