SCHEMBL4666136

SCHEMBL4666136

N#Cc1cc([N+](=O)[O-])ccc1-c1ccc(OS(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
STS P08842 3/20 0.48
VCAM1 P19320 1/20 0.44
CA12 O43570 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
XDH P47989 1/20 0.36
HPRT1 P00492 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4667754 0.85 STS (0.67) CA1CA2CA9STSVCAM1
SCHEMBL4665389 0.82 STS (0.50) CA1CA2CA9STSVCAM1
SCHEMBL4667304 0.77 CA2 (0.65) CA1CA2CA9STSCA12
SCHEMBL4666173 0.74 CYP19A1 (0.55) CA1CA2CA9STSVCAM1
SCHEMBL4667771 0.73 STS (0.67) CA1CA2CA9STSVCAM1
SCHEMBL27571950 0.73 CA2 (0.53) CA1CA2CA9STSCA12
SCHEMBL6806541 0.72 CA1 (0.52) CA1CA2CA9CA12ALDH1A1
SCHEMBL3519559 0.71 CA2 (1.00) CA1CA2CA9STSCA12
SCHEMBL6800482 0.71 LMNA (0.47) CA1CA2CA9STSVCAM1
SCHEMBL698847 0.70 VCAM1 (0.66) VCAM1ALDH1A1LMNAMEN1MAPT

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