SCHEMBL6797084

SCHEMBL6797084

N#Cc1ccc(NCc2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.67
CA2 P00918 7/20 0.67
CA9 Q16790 5/20 0.67
CA12 O43570 5/20 0.63
CYP19A1 P11511 8/20 0.54
STS P08842 4/20 0.54
CACNA1B Q00975 3/20 0.51
CA7 P43166 1/20 0.51
CACNA1H O95180 1/20 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
SCHEMBL6799239 0.88 STS (0.61) CA1CA2CA9CA12STS
SCHEMBL9451286 0.82 CA2 (1.00) CA1CA2CA9CA12CYP19A1
SCHEMBL6801523 0.81 CA2 (0.66) CA1CA2CA9CA12STS
SCHEMBL7454758 0.81 CA2 (0.58) CA1CA2CA9CA12CYP19A1
SCHEMBL5992317 0.80 LOXL2 (0.63) CA1CA2CA12CYP19A1CACNA1B
SCHEMBL10078294 0.80 LOXL2 (0.63) CA1CA2CA12CYP19A1CACNA1B
SCHEMBL5993780 0.78 MAPT (0.64) CA1CA2CA9CA12CACNA1B
SCHEMBL4492272 0.78 MAPT (0.64) CA1CA2CA9CA12CACNA1B
SCHEMBL4665450 0.77 CA2 (0.89) CA1CA2CA9CA12CYP19A1
SCHEMBL6799583 0.77 CA1 (0.68) CA1CA2CA9CA12STS

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