SCHEMBL21187390

SCHEMBL21187390

Brc1cc(N2CCOCC2)cc2c1CCCCCN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
PRKDC P78527 2/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.33
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TLR9 Q9NR96 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21187279 0.84 PRKDC (0.39) MAPTPRKDCKDM4ELMNATSHR
SCHEMBL21187388 0.74 FLT3 (0.35) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL21187323 0.74 TTK (0.34) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL21187280 0.74 TBK1 (0.33) NQO1
SCHEMBL21187389 0.70 KDM4E (0.30) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2124845 0.64 POLB (0.39) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL28640180 0.64 LMNA (0.61) MAPTPRKDCKDM4ELMNATSHR
SCHEMBL1686017 0.63 UHRF1 (0.40) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL24270121 0.63 KDM4E (0.50) MAPTPRKDCKDM4ELMNATSHR
SCHEMBL7534270 0.62 KDM4E (0.55) MAPTKDM4ELMNATSHRALDH1A1

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed