SCHEMBL23399861

SCHEMBL23399861

CCn1[nH]cc(-c2ccccc2C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
KDM5A P29375 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VHL P40337 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP2 O95551 1/20 0.35
MAP2K7 O14733 1/20 0.34
S100A4 P26447 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23402186 0.87 ALDH1A1 (0.45) BRD4KDM5AKDM4EHSD17B10VHL
SCHEMBL23399580 0.84 BRD4 (0.42) BRD4KDM5AKDM4EMAPTSRC
SCHEMBL23402050 0.83 ALDH1A1 (0.46) BRD4KDM5AHSD17B10VHLTP53
SCHEMBL23400853 0.79 MEN1 (0.44) BRD4KDM4EHSD17B10MAPTNPC1
SCHEMBL23402681 0.77 BRD4 (0.50) BRD4KDM5AHTR7KDM4EVHL
SCHEMBL23400881 0.75 MEN1 (0.36) BRD4KDM4EHSD17B10TP53MAPT
SCHEMBL23400486 0.75 BRD4 (0.44) BRD4KDM5AHTR7VHLTP53
SCHEMBL23399062 0.74
SCHEMBL23399231 0.73 BRD4 (0.42) BRD4KDM5AHTR7KDM4EHSD17B10
SCHEMBL23401887 0.73 GAA (0.56) BRD4VHLTP53MAPTNPC1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed