SCHEMBL6986405

SCHEMBL6986405

CCc1cc(OC)cc2sc(-c3ccc(OC)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
APP P05067 9/20 0.49
SULT1A1 P50225 1/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5423200 0.88 KDM4E (0.49) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5421604 0.84 KDM4E (0.46) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5415087 0.82 KDM4E (0.55) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5419802 0.81 KDM4E (0.54) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5427194 0.81 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5419706 0.80 KDM4E (0.52) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5418844 0.80 KDM4E (0.52) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL14416785 0.79 KDM4E (0.51) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5415100 0.77 DYRK1A (0.52) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL14409229 0.77 APP (0.51) KDM4ESMN1; SMN2NPC1PKMRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed