SCHEMBL23906985

SCHEMBL23906985

CC(=O)CCC(=O)Nc1ccc2c(c1)CNC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.47
MKNK1 Q9BUB5 3/20 0.46
EIF4E P06730 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP3 P42574 5/20 0.45
CASP2 P42575 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CTSL P07711 1/20 0.45
PTPRC P08575 1/20 0.45
PTPN13 Q12923 1/20 0.45
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL7903327 0.83 BAZ2B (0.56) RAB9AALDH1A1MAPTMKNK1EIF4E
SCHEMBL11898576 0.79 TP53 (0.58) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL29606569 0.77 MKNK1 (0.52) MKNK1EIF4EMKNK2LRRK2PIK3CD
SCHEMBL12545542 0.77 KMT2A (0.64) KDM4EALDH1A1HPGDMAPTMKNK1
SCHEMBL25601967 0.75 POLB (0.63) POLBRAB9AKDM4EHPGDMAPT
SCHEMBL17423636 0.75 MKNK1 (0.47) KDM4EMAPTMKNK1EIF4EMKNK2
SCHEMBL20418723 0.74 MKNK1 (0.49) KDM4EMKNK1EIF4EMKNK2LRRK2
SCHEMBL20086323 0.74 MKNK1 (0.55) MKNK1EIF4EMKNK2LRRK2
SCHEMBL19674259 0.74 MKNK1 (0.55) MKNK1EIF4EMKNK2LRRK2PIK3CD
SCHEMBL5947048 0.73 MAPT (0.48) KDM4EALDH1A1MAPTMKNK1EIF4E

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-2021198883-A1 SYNTHESIS OF OLIGONUCLEOTIDES AND RELATED COMPOUNDS Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed