SCHEMBL8230871

SCHEMBL8230871

CN1CCCN(c2cccc(CN3Cc4cccc(NC(=O)c5ccc(Cl)s5)c4C3=O)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.46
PREP P48147 2/20 0.38
ACKR3 P25106 1/20 0.38
PARP1 P09874 2/20 0.37
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
MCL1 Q07820 1/20 0.34
NR1I2 O75469 1/20 0.34
UGCG Q16739 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8230631 0.91 F10 (0.45) F10PREPACKR3PARP1MAPK1
SCHEMBL8230158 0.88 F10 (0.61) F10ACKR3HDAC1ALDH1A1HPGD
SCHEMBL8230000 0.88 F10 (0.47) F10PREPACKR3PARP1HDAC1
SCHEMBL8230012 0.86 F10 (0.46) F10PREPACKR3PARP1MAPK1
SCHEMBL3915359 0.85 F10 (0.46) F10PREPACKR3PARP1HDAC1
SCHEMBL8230409 0.84 F10 (0.44) F10PREPACKR3PARP1HDAC1
SCHEMBL8234420 0.84 F10 (0.43) F10PREPACKR3PARP1NR1I2
SCHEMBL8230473 0.84 F10 (0.47) F10PREPACKR3PARP1HDAC1
SCHEMBL8230535 0.83 F10 (0.52) F10
SCHEMBL3616876 0.82 F10 (0.44) F10PREPACKR3PARP1HDAC1

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-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed