SCHEMBL4667205

SCHEMBL4667205

N#Cc1cccc(-c2ccc(OS(N)(=O)=O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.63
CA9 Q16790 8/20 0.63
CA1 P00915 7/20 0.63
STS P08842 4/20 0.62
CYP19A1 P11511 3/20 0.50
CA12 O43570 3/20 0.49
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
KIF11 P52732 1/20 0.46
PGR P06401 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
PTPN5 P54829 1/20 0.45

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
SCHEMBL4665450 0.84 CA2 (0.89) CA2CA9CA1STSCYP19A1
SCHEMBL4599111 0.82 CA2 (0.66) CA2CA9CA1STSCYP19A1
SCHEMBL31527850 0.81 CA2 (0.63) CA2CA9CA1STSCYP19A1
SCHEMBL27183081 0.81 CA2 (0.63) CA2CA9CA1STSCYP19A1
SCHEMBL4665401 0.78 MMP3 (0.56) CA2CA9CA1STSCYP19A1
SCHEMBL9451286 0.78 CA2 (1.00) CA2CA9CA1STSCYP19A1
SCHEMBL4667745 0.77 STS (1.00) CA2CA9CA1STSCYP19A1
SCHEMBL4666114 0.77 STS (0.75) CA2CA9CA1STSCYP19A1
SCHEMBL4667165 0.76 CA2 (0.66) CA2CA9CA1STSCYP19A1
SCHEMBL7263619 0.76 CA2 (1.00) CA2CA9CA1STSCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
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