SCHEMBL4665404

SCHEMBL4665404

CC(=O)Nc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.90
CA2 P00918 17/20 0.90
CA9 Q16790 17/20 0.90
CA12 O43570 16/20 0.68
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
STS P08842 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL9451275 0.95 CA1 (1.00) CA1CA2CA9CA12STS
SCHEMBL29175683 0.81 CA1 (0.74) CA1CA2CA9CA12HTT
SCHEMBL5023104 0.80 CA1 (0.72) CA1CA2CA9CA12HTT
SCHEMBL3818831 0.78 SMN1; SMN2 (1.00) CA1CA2CA9CA12HTT
SCHEMBL4666145 0.78 STS (0.61) CA1CA2CA9CA12STS
SCHEMBL10584714 0.78 CA1 (0.70) CA1CA2CA9CA12HTT
SCHEMBL17324043 0.78 CA1 (0.70) CA1CA2CA9CA12HTT
SCHEMBL4667780 0.77 KIF11 (0.59) CA1CA2CA9CA12STS
SCHEMBL6806188 0.77 CA1 (0.68) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL9451388 0.76 CA1 (0.67) CA1CA2CA9CA12SMN1; SMN2

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