SCHEMBL4667304

SCHEMBL4667304

NS(=O)(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.65
CA9 Q16790 7/20 0.65
CA1 P00915 6/20 0.65
STS P08842 2/20 0.54
CA12 O43570 3/20 0.51
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44
PTGS2 P35354 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA4 P22748 1/20 0.43
HSPB1 P04792 1/20 0.42

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
SCHEMBL4667729 0.82 CA2 (0.89) CA2CA9CA1STSCA12
SCHEMBL27571950 0.82 CA2 (0.53) CA2CA9CA1STSCA12
SCHEMBL4667754 0.82 STS (0.67) CA2CA9CA1STSCA12
SCHEMBL4667771 0.82 STS (0.67) CA2CA9CA1STSCA12
SCHEMBL4667326 0.81 ALDH1A1 (0.57) CA2CA9CA1STSCA12
SCHEMBL3519559 0.80 CA2 (1.00) CA2CA9CA1STSCA12
SCHEMBL10452690 0.79 PTGS2 (0.52) CA2CA9CA1CA12TDP1
SCHEMBL10711868 0.77 TDP1 (0.59) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL4756441 0.77 ALDH1A1 (0.46) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL8065661 0.77 ALDH1A1 (0.46) TDP1MAPTALDH1A1MEN1KMT2A

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