SCHEMBL23403281

SCHEMBL23403281

CCCCc1cn(CCC)nc1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
KDR P35968 5/20 0.33
CNR2 P34972 1/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL23402171 0.93 TYR (0.37) TYRL3MBTL1KDRHTTMAPT
SCHEMBL23399728 0.89 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1
SCHEMBL11304852 0.88 KDR (0.41) TYRKDRHTTMAPTMEN1
SCHEMBL23400431 0.87 L3MBTL1 (0.42) TYRL3MBTL1HTTMAPTMEN1
SCHEMBL23400968 0.86 KDR (0.36) TYRL3MBTL1KDR
SCHEMBL23399118 0.83 TYR (0.40) TYRHTTMAPTMEN1TP53
SCHEMBL23400494 0.83 L3MBTL1 (0.41) TYRL3MBTL1CNR2MAPTNPSR1
SCHEMBL23401976 0.81 TYR (0.34) TYRKDR
SCHEMBL23401237 0.80 TYR (0.37) TYRL3MBTL1KDR
SCHEMBL23398588 0.77 GABRA1 (0.36) L3MBTL1

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