SCHEMBL2549950

SCHEMBL2549950

O=C(NCCCc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MLYCD O95822 1/20 0.47
PLAAT3 P53816 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
SCHEMBL419646 0.90 CNR1 (0.50) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8699335 0.85 POLB (0.55) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16935825 0.84 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4459001 0.84 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5071492 0.84 POLB (0.53) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6155598 0.83 POLB (0.71) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL237809 0.82 POLB (0.49) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5072982 0.80 POLB (0.58) POLBSMN1; SMN2
SCHEMBL20289377 0.80 TGM2 (0.54) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14672313 0.80 HSP90AA1 (0.58) ALDH1A1MEN1KMT2ACNR1CNR2

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
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed