SCHEMBL10779261

SCHEMBL10779261

CCOc1cccc(CCNS(=O)(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.55
LSS P48449 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
F2 P00734 2/20 0.49
PLG P00747 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
AKR1C3 P42330 1/20 0.47
KAT6A Q92794 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9835966 0.86 TBXA2R (0.61) CYP19A1LSSF2PLGAKR1C3
SCHEMBL10446945 0.85 F2 (0.66) CYP19A1CA1CA2CA7CA9
SCHEMBL9129550 0.79 F2 (0.59) CYP19A1CA1CA2CA7CA9
SCHEMBL10776649 0.79 AKR1C3 (0.58) CA1CA2CA7CA9CA14
SCHEMBL9329278 0.77 F2 (0.62) CYP19A1F2PLGALDH1A1SGMS1
SCHEMBL3895495 0.77 MEN1 (0.55) CYP19A1CA1CA2CA9ALDH1A1
SCHEMBL7983044 0.77 CYP19A1 (0.72) CYP19A1ALDH1A1POLBARMEN1
SCHEMBL7911281 0.76 ALDH1A1 (0.79) CYP19A1LSSCA1CA2CA9
SCHEMBL9129517 0.76 F2 (0.66) CYP19A1F2PLGALDH1A1SGMS1
SCHEMBL10773813 0.75 SFRP1 (0.49) CA1CA2CA7CA9CA14

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
EP-0239907-A1 Phenoxyalkanecarboxylic-acid derivatives, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-10-07 EP disclosed