SCHEMBL23401690

SCHEMBL23401690

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
DCTPP1 Q9H773 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAT2A P31153 3/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2B P29275 2/20 0.40
DPP4 P27487 1/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL23401128 0.93 KMT2A (0.49) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23401860 0.93 KMT2A (0.49) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23401629 0.91 KDM4E (0.44) MEN1KMT2AALDH1A1DCTPP1KDM4E
SCHEMBL23399028 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23403403 0.87 KMT2A (0.40) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23399730 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23399357 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23403316 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL23398953 0.84 MAT2A (0.46) MEN1KMT2AALDH1A1KDM4EMAT2A
SCHEMBL23403309 0.84 MEN1 (0.57) MEN1KMT2AALDH1A1PDE4APDE4B

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