SCHEMBL23898539

SCHEMBL23898539

CC(=O)c1cccn(C2CCCCCCCCCCCCC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
PARP1 P09874 7/20 0.41
PARP2 Q9UGN5 2/20 0.41
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL30612395 0.86 KDM4E (0.52) TYK2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30509877 0.84 MEN1 (0.53) TYK2MEN1KMT2AKDM4EPARP1
Hydrochloric Acid SCHEMBL11452778 0.84 KDM4E (0.51) TYK2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11452777 0.84 KDM4E (0.42) TYK2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30612380 0.84 KDM4E (0.47) TYK2ALDH1A1KMT2AKDM4EPOLB
SCHEMBL22498188 0.81 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EPARP1
SCHEMBL13101590 0.80 ALDH1A1 (0.47) TYK2ALDH1A1MEN1KMT2ACNR1
SCHEMBL12923010 0.80 CNR2 (0.60) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL21246071 0.79 KDM4E (0.43) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL12923027 0.79 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD

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-2021198709-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF MER TYROSINE KINASE AND AXL TYROSINE KINASE KINSENSUS LIMITED (GB) 2021-10-07 WO disclosed