SCHEMBL23401082

SCHEMBL23401082

CCCCc1nn(-c2ccccc2C)c(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDC25B P30305 1/20 0.34
TSHR P16473 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL23400424 0.91 ALDH1A1 (0.38) MAPTMAPK1ALDH1A1HSD11B1KDM4E
SCHEMBL23402728 0.90 POLB (0.38) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23398608 0.87 POLB (0.37) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23400711 0.86 POLB (0.36) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23400568 0.86 DHODH (0.38) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23402633 0.86 POLB (0.38) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23401911 0.85 DHODH (0.41) MAPTMAPK1ALDH1A1L3MBTL1KDM4E
SCHEMBL23401264 0.84 POLB (0.37) MAPTMAPK1ALDH1A1HSP90AA1POLB
SCHEMBL23402372 0.84 ALDH1A1 (0.34) MAPTALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23402340 0.83 PDE4A (0.37) MAPTALDH1A1HSP90AA1POLBL3MBTL1

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