SCHEMBL28116839

SCHEMBL28116839

FC(F)(F)c1ccc(Cc2n[nH]c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.46
AR P10275 2/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
ENPP1 P22413 2/20 0.42
EPHX2 P34913 1/20 0.41
KIF11 P52732 2/20 0.41
APP P05067 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
VKORC1 Q9BQB6 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL693552 0.83 PARP1 (0.52) MAPK10ARPARP1LMNAENPP1
SCHEMBL248215 0.82 PARP1 (0.64) MAPK10ARPARP1LMNAENPP1
SCHEMBL30801304 0.82 PARP1 (0.64) MAPK10ARPARP1LMNAENPP1
SCHEMBL154687 0.80 LMNA (0.49) MAPK10ARPARP1MAPTLMNA
SCHEMBL4488379 0.80 PARP1 (0.52) MAPK10ARPARP1MAPTLMNA
SCHEMBL694505 0.76 PARP1 (0.45) ARPARP1LMNAENPP1KDM4E
SCHEMBL28098683 0.76 CNR1 (0.62) MAPK10ARPARP1MAPTLMNA
SCHEMBL1513026 0.74 IDO1 (0.65) MAPK10KIF11KDM4EPDPK1GAA
SCHEMBL14979171 0.74 MEN1 (0.55) ARPARP1MAPTLMNAENPP1
SCHEMBL15826381 0.71 KDM4E (0.44) MAPK10ARKDM4EPDPK1CYP3A4

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
CN-106232583-A Compounds and methods for inhibiting fascin 康奈尔大学 2016-12-14 CN disclosed