SCHEMBL6799583

SCHEMBL6799583

NS(=O)(=O)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.68
CA2 P00918 7/20 0.68
CA9 Q16790 5/20 0.68
CA12 O43570 4/20 0.64
PTPRF P10586 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN11 Q06124 1/20 0.58
MAPT P10636 3/20 0.57
CA7 P43166 1/20 0.49
HTT P42858 1/20 0.48
STS P08842 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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 0.87 STS (0.61) CA1CA2CA9CA12STS
SCHEMBL3519559 0.82 CA2 (1.00) CA1CA2CA9CA12CA7
SCHEMBL4953680 0.82 PTPRF (0.83) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL6801523 0.80 CA2 (0.66) CA1CA2CA9CA12MAPT
SCHEMBL7454758 0.80 CA2 (0.58) CA1CA2CA9CA12STS
SCHEMBL27565507 0.78 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL14950713 0.78 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL6255547 0.78 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL7912544 0.78 PTPRF (0.75) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL4667729 0.78 CA2 (0.89) CA1CA2CA9CA12CA7

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