SCHEMBL24013151

SCHEMBL24013151

O=C(NCCCOc1ccc2c(c1)c(-c1cccc(CO)c1)nn2C1CCCCO1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
HTR3A P46098 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 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
SCHEMBL24012643 0.92 BRD4 (0.38) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL30242740 0.91 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL24013053 0.91 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL24012702 0.90 BRD4 (0.39) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL26741107 0.90 BRD4 (0.38) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL30242656 0.90 BRD4 (0.41) BRD4L3MBTL1MAPTHTR3AKDM4E
SCHEMBL30242724 0.90 BRD4 (0.39) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL24012476 0.90 BRD4 (0.39) BRD4L3MBTL1MAPTHTR3AKMT2A
SCHEMBL24013067 0.90 BRD4 (0.41) BRD4L3MBTL1MAPTHTR3AKDM4E
SCHEMBL24012985 0.89 BRD4 (0.38) BRD4L3MBTL1MAPTHTR3AKMT2A

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-2021224320-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2021-11-11 WO disclosed