SCHEMBL16760902

SCHEMBL16760902

Bc1cc(F)cc(F)c1.CC(C)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
SLC6A3 Q01959 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GRIA4 P48058 1/20 0.30

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
SCHEMBL879287 0.79
SCHEMBL16760892 0.76 TDP1 (0.38) TDP1CA1CA9
SCHEMBL12488906 0.73
SCHEMBL24807015 0.71 RAPGEF4 (0.33)
SCHEMBL21555845 0.71 GABRA1 (0.31)
SCHEMBL10087180 0.71 CES2 (0.33) TDP1SLC6A3CA12CA1CA9
SCHEMBL16760869 0.71 SLC6A2 (0.34) TDP1SLC6A3GRIA4
SCHEMBL16760905 0.70 CA3 (0.35) TDP1CA9
SCHEMBL16760877 0.68 ALDH1A1 (0.48) TDP1
SCHEMBL28879695 0.67 TDP1 (0.44) TDP1

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-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed