SCHEMBL6799672

SCHEMBL6799672

CN(Cc1ccc(OS(N)(=O)=O)cc1)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.64
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
STS P08842 9/20 0.54
CYP19A1 P11511 5/20 0.54
CA12 O43570 1/20 0.52
PDK1 Q15118 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
LIMK2 P53671 1/20 0.44

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
SCHEMBL6795598 0.85 MEN1 (0.60) NSD2CA1CA2CA9STS
SCHEMBL6800966 0.84 NSD2 (0.71) NSD2PDK1MEN1KMT2ALIMK2
SCHEMBL6799571 0.81 CA1 (0.61) CA1CA2CA9STSCYP19A1
SCHEMBL6799793 0.80 CYP19A1 (0.64) CA1CA2CA9STSCYP19A1
SCHEMBL6800721 0.80 MEN1 (0.63) CA1CA2CA9STSCYP19A1
SCHEMBL6796753 0.79 NSD2 (0.77) NSD2CA2CA9CYP19A1CA12
SCHEMBL6801736 0.79 CA1 (0.65) CA1CA2CA9STSCYP19A1
SCHEMBL23015300 0.78 NSD2 (1.00) NSD2PDK1MEN1KMT2ALIMK2
SCHEMBL6797851 0.77 CYP19A1 (0.67) CA1CA2CA9STSCYP19A1
SCHEMBL7236313 0.76 NSD2 (0.71) NSD2PDK1MEN1KMT2A

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