SCHEMBL6595759

SCHEMBL6595759

[CH2]C(C)(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 4/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CTSK P43235 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CA14 Q9ULX7 2/20 0.37
APLNR P35414 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL3229252 0.83 TDP1 (0.46) TDP1MEN1KMT2AGAACA1
SCHEMBL24391372 0.83 TDP1 (0.48) TDP1MEN1KMT2AGAACA1
SCHEMBL255203 0.82 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL21065336 0.82 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL842921 0.82 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL26862839 0.80 TDP1 (0.50) TDP1MEN1KMT2AGAACA1
SCHEMBL16266905 0.80 TDP1 (0.50) TDP1MEN1KMT2AGAACA1
SCHEMBL24391425 0.79 TDP1 (0.46) TDP1MEN1KMT2AGAACA1
SCHEMBL3085905 0.79 TDP1 (0.55) TDP1MEN1KMT2AGAACA1
SCHEMBL4202727 0.78 TDP1 (0.48) TDP1MEN1KMT2AGAACA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 US disclosed
EP-1230227-A1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS Novartis AG (CH) 2002-08-14 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed