SCHEMBL6795598

SCHEMBL6795598

N#Cc1ccc(C(=O)N(Cc2ccc(OS(N)(=O)=O)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
CYP19A1 P11511 12/20 0.58
STS P08842 5/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
PDK1 Q15118 2/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CA12 O43570 1/20 0.51
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
NSD2 O96028 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
SCHEMBL6800721 0.94 MEN1 (0.63) MEN1KMT2ANPC1CYP19A1STS
SCHEMBL6800942 0.88 CYP19A1 (0.52) MEN1KMT2ANPC1CYP19A1STS
SCHEMBL6801145 0.87 GAA (0.54) MEN1KMT2ANPC1CYP19A1STS
SCHEMBL6799672 0.85 NSD2 (0.64) MEN1KMT2ACYP19A1STSCA1
SCHEMBL6800139 0.84 STS (0.55) MEN1KMT2ANPC1CYP19A1STS
SCHEMBL6801408 0.84 MEN1 (0.55) MEN1KMT2ANPC1CYP19A1STS
SCHEMBL6801736 0.83 CA1 (0.65) CYP19A1STSCA1CA2CA9
SCHEMBL6797851 0.81 CYP19A1 (0.67) CYP19A1STSCA1CA2CA9
SCHEMBL6799571 0.81 CA1 (0.61) CYP19A1STSCA1CA2CA9
SCHEMBL6799435 0.80 MEN1 (0.72) MEN1KMT2ANPC1CYP19A1CA2

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