SCHEMBL6239210

SCHEMBL6239210

FC(F)(F)Oc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GBA1 P04062 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.44
CTSC P53634 1/20 0.44
PDE5A O76074 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
TP53 P04637 2/20 0.41
DHODH Q02127 1/20 0.40
KDM1A O60341 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL6259663 0.82 PDE5A (0.61) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL17432138 0.82 MAPT (0.61) MAPTMEN1KMT2AHTTLMNA
SCHEMBL6237808 0.80 KMT2A (0.49) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL6234077 0.80 GAA (0.50) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL6238376 0.80 PDE5A (0.49) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL7695845 0.80 RPS6KB2 (0.57) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL6239609 0.76 MAPT (0.51) MAPTMEN1KMT2AHTTCTSC
SCHEMBL17432182 0.76 CTSC (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7695652 0.74 RPS6KB2 (0.60) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL7690215 0.74 RPS6KB2 (0.60) MAPTMEN1KMT2AHTTKDM4E

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed