SCHEMBL8229933

SCHEMBL8229933

C=C(Nc1cccc2c1C(=O)N(Cc1ccc(OC)c(I)c1)C2O)c1ccc(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.35
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
F10 P00742 1/20 0.33
MAPT P10636 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL3979217 0.92 HPGD (0.40) CCR4KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8229731 0.86 F10 (0.39) ALDH1A1F10MAPTHPGDSMN1; SMN2
SCHEMBL8230002 0.82 F10 (0.41) CCR4KMT2AALDH1A1F10MAPT
SCHEMBL3982271 0.79 F10 (0.41) KMT2AKDM4EALDH1A1ALOX15TDP1
SCHEMBL8225135 0.78 F10 (0.55) CCR4KMT2AALDH1A1F10MAPT
SCHEMBL3377662 0.78 HPGD (0.44) KMT2AKDM4EALDH1A1F10MEN1
SCHEMBL3381006 0.77 F10 (0.45) KMT2AKDM4EALDH1A1F10MAPT
SCHEMBL3986630 0.74 HTT (0.45) KMT2AKDM4EALDH1A1L3MBTL1F10
SCHEMBL3987347 0.73 F10 (0.47) KMT2AKDM4EALDH1A1F10MAPT
SCHEMBL13070183 0.72 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1HSD17B10MEN1

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