SCHEMBL6794490

SCHEMBL6794490

N#Cc1ccccc1NCc1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CA2 P00918 11/20 0.59
CA9 Q16790 10/20 0.59
CA1 P00915 9/20 0.59
CA12 O43570 4/20 0.59
STS P08842 7/20 0.46
CYP19A1 P11511 4/20 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
SCHEMBL31519277 0.79 TSHR (0.69) KDM4EHPGDTSHRHSD17B10CYP19A1
SCHEMBL27545525 0.77 KDM4E (0.75) KDM4EHPGDTSHRHSD17B10CYP19A1
SCHEMBL3475619 0.76 KDM4E (1.00) KDM4EHPGDTSHRHSD17B10CYP19A1
SCHEMBL7454758 0.76 CA2 (0.58) CA2CA9CA1CA12STS
SCHEMBL6797084 0.76 CA1 (0.67) CA2CA9CA1CA12STS
SCHEMBL28873028 0.74 KDM4E (0.75) KDM4EHPGDTSHRHSD17B10
SCHEMBL6799239 0.74 STS (0.61) CA2CA9CA1CA12STS
SCHEMBL4667728 0.72 STS (0.68) CA2CA9CA1CA12STS
SCHEMBL6799582 0.69 STS (0.63) CA2CA9CA1CA12STS
SCHEMBL6801523 0.68 CA2 (0.66) KDM4EHPGDHSD17B10CA2CA9

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