SCHEMBL19995511

SCHEMBL19995511

CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCCBr

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 1/20 0.39
CA7 P43166 1/20 0.35
EPHX2 P34913 1/20 0.35
DRD2 P14416 2/20 0.34
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL20543014 0.84 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7434 0.83 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17286185 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19460948 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6449941 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18604607 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1041731 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21596987 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1149061 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL26634879 0.80 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018057588-A1 FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-29 WO disclosed