SCHEMBL4667754

SCHEMBL4667754

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.67
CA2 P00918 8/20 0.58
CA9 Q16790 8/20 0.58
CA1 P00915 7/20 0.58
CYP19A1 P11511 5/20 0.51
CA12 O43570 3/20 0.47
VCAM1 P19320 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA4 P22748 1/20 0.40
PTGS2 P35354 2/20 0.40
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL4665389 0.87 STS (0.50) STSCA2CA9CA1CYP19A1
SCHEMBL4666136 0.85 CA1 (0.52) STSCA2CA9CA1CYP19A1
SCHEMBL6800482 0.84 LMNA (0.47) STSCA2CA9CA1CYP19A1
SCHEMBL4666173 0.82 CYP19A1 (0.55) STSCA2CA9CA1CYP19A1
SCHEMBL8140554 0.82 VCAM1 (0.60) VCAM1ALDH1A1LMNAPTGS2
SCHEMBL4667304 0.82 CA2 (0.65) STSCA2CA9CA1CA12
SCHEMBL4668707 0.82 XDH (0.52) VCAM1ALDH1A1LMNA
SCHEMBL4667745 0.80 STS (1.00) STSCA2CA9CA1CYP19A1
SCHEMBL4667727 0.80 STS (0.75) STSCA2CA9CA1CYP19A1
SCHEMBL4667729 0.78 CA2 (0.89) STSCA2CA9CA1CA12

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