SCHEMBL8230285

SCHEMBL8230285

C=C(Nc1cccc2c1C(=O)N(c1ccc(NCCO)cc1)C2)c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.41
GRM1 Q13255 2/20 0.40
POLB P06746 8/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 3/20 0.36
TDP1 Q9NUW8 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ESR1 P03372 1/20 0.32
NR4A1 P22736 1/20 0.32
APEX1 P27695 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3380066 0.90 F10 (0.47) F10GRM1POLBMAPTTP53
SCHEMBL8231182 0.87 F10 (0.43) F10POLBMAPTTP53TDP1
SCHEMBL12040651 0.82 POLB (0.44) F10GRM1POLBMAPTTP53
SCHEMBL8230004 0.80 F10 (0.38) F10GRM1POLBMAPTPARP1
SCHEMBL8230159 0.80 F10 (0.51) F10
SCHEMBL13069758 0.78 PARP1 (0.39) F10GRM1POLBMAPTTP53
SCHEMBL3381165 0.77 POLB (0.40) F10GRM1POLBMAPTTP53
SCHEMBL3377544 0.77 F10 (0.51) F10POLBMAPTTP53TDP1
SCHEMBL13273193 0.76 POLB (0.40) F10GRM1POLBMAPTTP53
SCHEMBL3380128 0.76 F10 (0.54) F10GRM1SMN1; SMN2KDM4E

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-2029586-B1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-11-24 EP disclosed
WO-2007137800-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