SCHEMBL23853932

SCHEMBL23853932

COc1ccc(Nc2ccc(/C=C/c3ccc(Nc4ccc(OC)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.54
▸ ENPP2 Q13822 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RAD1 O60671 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ APP P05067 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ SNCA P37840 2/20 0.41
▸ NSD2 O96028 1/20 0.41

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
SCHEMBL23854075 0.82 ENPP2 (0.55) RAD51ENPP2CTDSP1KDM4EMAPT
SCHEMBL4650529 0.81 CTDSP1 (0.73) CTDSP1KDM4EMAPTMAPK1RAB9A
SCHEMBL17565764 0.78 KDR (0.41) ENPP2MAPTMAPK1RAB9ANPC1
SCHEMBL9775588 0.78 MEN1 (0.62) MAPTMAPK1SMN1; SMN2CA1CA2
SCHEMBL22851363 0.77 ENPP2 (0.63) RAD51ENPP2CTDSP1KDM4EMAPT
SCHEMBL17565762 0.76 NPC1 (0.59) RAD51ENPP2KDM4EMAPTRAB9A
SCHEMBL2205677 0.76 CA1 (0.46) ENPP2MAPTMAPK1RAB9AGAA
SCHEMBL15294489 0.76 NPC1 (0.59) RAD51ENPP2KDM4EMAPTRAB9A
SCHEMBL8649081 0.76 CA1 (0.46) ENPP2MAPTMAPK1RAB9AGAA
SCHEMBL31310170 0.76 CA1 (0.46) ENPP2MAPTMAPK1RAB9AGAA

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-3883922-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Université de Nantes (FR) 2021-09-29 — — EP disclosed
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