SCHEMBL4667738

SCHEMBL4667738

NS(=O)(=O)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.64
CA9 Q16790 8/20 0.64
CA1 P00915 7/20 0.64
PLAU P00749 1/20 0.51
CA12 O43570 4/20 0.50
CA5A P35218 1/20 0.50
PELI1 Q96FA3 1/20 0.49
STS P08842 2/20 0.47
TDP2 O95551 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
PGR P06401 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.45
KIF11 P52732 1/20 0.45
CA14 Q9ULX7 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
Dinitrophenylene SCHEMBL27565505 0.93 CA2 (0.66) CA2CA9CA1PLAUCA12
SCHEMBL27565484 0.85 CA2 (0.78) CA2CA9CA1CA12CA5A
SCHEMBL4667729 0.84 CA2 (0.89) CA2CA9CA1CA12CA5A
SCHEMBL29832245 0.83 PDE4A (0.55) CA2CA9CA1PLAUPELI1
SCHEMBL9451297 0.83 CA2 (0.64) CA2CA9CA1CA12CA5A
SCHEMBL3519559 0.79 CA2 (1.00) CA2CA9CA1CA12CA5A
SCHEMBL27565486 0.79 CA2 (0.72) CA2CA9CA1CA12STS
SCHEMBL8477184 0.78 PLAU (0.62) PLAULMNATSHR
SCHEMBL4667304 0.77 CA2 (0.65) CA2CA9CA1CA12STS
SCHEMBL7838339 0.77 LMNA (0.64) TDP2PGRLMNATSHR

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