SCHEMBL6800441

SCHEMBL6800441

CN(C)N(C(=O)c1ccc(OS(N)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STS P08842 15/20 0.57
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA12 O43570 2/20 0.47

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
SCHEMBL6802989 0.82 STS (0.64) STSCA1CA2CA9CA12
SCHEMBL4519653 0.78 KMT2A (0.50)
SCHEMBL6802010 0.78 STS (0.60) STSCA1CA2CA9CA12
SCHEMBL6799807 0.77 STS (0.54) STSCA1CA2CA9CA12
SCHEMBL7457816 0.77 HSD17B2 (0.60) STSCA1CA2CA9CA12
SCHEMBL6799997 0.74 STS (0.62) STSCA1CA2CA9CA12
SCHEMBL6806433 0.74 HSD17B2 (0.56) STSCA1CA2CA9CA12
SCHEMBL9451248 0.74 STS (1.00) STSCA1CA2CA9CA12
SCHEMBL6806436 0.73 HSD17B2 (0.55) STSCA1CA2CA9CA12
SCHEMBL2237810 0.72 STS (0.57) STSCA1CA2CA9CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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