SCHEMBL6800942

SCHEMBL6800942

N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)C(=O)c2ccsc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.52
STS P08842 5/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.45
PDK1 Q15118 3/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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 0.88 MEN1 (0.60) CYP19A1STSCA1CA2CA9
SCHEMBL6800721 0.85 MEN1 (0.63) CYP19A1STSCA1CA2CA9
SCHEMBL27571949 0.84 MEN1 (0.54) MEN1NPC1KMT2APDK1PDK2
SCHEMBL6798512 0.83 MEN1 (0.55) CYP19A1MEN1NPC1KMT2APDK1
SCHEMBL6801408 0.82 MEN1 (0.55) CYP19A1STSCA1CA2CA9
SCHEMBL6801145 0.80 GAA (0.54) CYP19A1STSCA1CA2CA9
SCHEMBL6806206 0.80 CYP19A1 (0.56) CYP19A1STSCA1CA2CA9
SCHEMBL6802293 0.80 MEN1 (0.45) MEN1NPC1KMT2APDK1PDK2
SCHEMBL6806386 0.76 CYP19A1 (0.64) CYP19A1STSCA1CA2CA9
SCHEMBL6800139 0.76 STS (0.55) CYP19A1STSCA1CA2CA9

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