SCHEMBL23802471

SCHEMBL23802471

CCCCC/C(=N\OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(OC)cc3)ccc1n2CC(CC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.33
PDE9A O76083 1/20 0.33
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL23801769 0.92 CNR2 (0.40) CNR2CNR1TP53TDP1KDM4E
SCHEMBL25522593 0.90 TP53 (0.36) CNR2CNR1TP53TDP1
SCHEMBL25515402 0.87 CNR2 (0.39) CNR2CNR1TP53ALDH1A1GAA
SCHEMBL23801749 0.87 CNR2 (0.39) CNR2CNR1TP53ALDH1A1GAA
SCHEMBL23802054 0.87 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10PLA2G2A
SCHEMBL23801754 0.86 CNR2 (0.38) CNR2CNR1PLA2G2AKMT2AALDH1A1
SCHEMBL25515673 0.85 CNR2 (0.37) CNR2CNR1TP53ALDH1A1GAA
SCHEMBL23801816 0.85 CNR2 (0.37) CNR2CNR1TP53HSD17B10ALDH1A1
SCHEMBL23801753 0.84 CNR2 (0.38) CNR2CNR1TP53TDP1KDM4E
SCHEMBL23801317 0.84 CNR2 (0.39) CNR2CNR1KDM4EALDH1A1

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-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed