SCHEMBL23399580

SCHEMBL23399580

CCCCn1[nH]cc(-c2ccccc2C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CNR2 P34972 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL23402186 0.91 ALDH1A1 (0.45) BRD4ALDH1A1MAPTNPC1RAB9A
SCHEMBL23399861 0.84 BRD4 (0.42) BRD4ALDH1A1MAPTNPC1RAB9A
SCHEMBL23398967 0.82 MEN1 (0.52) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL23403303 0.78 RGS4 (0.40) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL23402050 0.78 ALDH1A1 (0.46) BRD4TDP1L3MBTL1MEN1KMT2A
SCHEMBL23403202 0.77 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL23402063 0.76 KDM4E (0.48) BRD4MEN1KMT2AALDH1A1NPC1
SCHEMBL23402681 0.76 BRD4 (0.50) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL23402543 0.75 PDE4A (0.46) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL23402237 0.71 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DTDP1

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