SCHEMBL23399730

SCHEMBL23399730

CCCCn1[nH]c(-c2ccccc2C)c(-c2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 3/20 0.41
DCTPP1 Q9H773 1/20 0.40
ADORA2B P29275 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.38
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23403495 0.92 KDM4E (0.39) MEN1KMT2AALDH1A1DCTPP1ADORA2B
SCHEMBL23403611 0.87 GAA (0.40) MEN1KMT2AALDH1A1DCTPP1KDM4E
SCHEMBL23401690 0.86 MEN1 (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23403022 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1ADORA2BTSHR
SCHEMBL23402543 0.84 PDE4A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23401128 0.83 KMT2A (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23401860 0.83 KMT2A (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23398957 0.82 PDE4A (0.44) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23402587 0.82 PDE4A (0.44) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23403316 0.81 MEN1 (0.55) MEN1KMT2APDE4APDE4BPDE4C

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