SCHEMBL625589

SCHEMBL625589

O=C1CCOC(=Cc2ccncc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
NPC1 O15118 2/20 0.45
HSP90AA1 P07900 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
XBP1 P17861 1/20 0.45
MAOB P27338 1/20 0.39
CISD1 Q9NZ45 4/20 0.39
MAOA P21397 2/20 0.39
GSK3B P49841 1/20 0.39
CYP19A1 P11511 7/20 0.39
TNF P01375 2/20 0.39
MIF P14174 1/20 0.38
PKM P14618 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CGAS Q8N884 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28575414 0.83 ALDH1A1 (0.56) HSP90AA1MAPTHTTMAOBMAOA
SCHEMBL28575415 0.83 ALDH1A1 (0.56) HSP90AA1MAPTHTTMAOBMAOA
SCHEMBL624667 0.81 MAPT (0.53) MAPK1NPC1HSP90AA1MAPTHTT
SCHEMBL625784 0.80 KMT2A (0.57) RAB9AMAOBMAOAGSK3BMIF
SCHEMBL625104 0.76 DYRK1A (0.60) MAPK1NPC1MAPTHTTRAB9A
SCHEMBL625103 0.76 DYRK1A (0.60) MAPK1NPC1MAPTHTTRAB9A
SCHEMBL625559 0.74 MAOB (0.42) MAPK1NPC1MAPTHTTRAB9A
SCHEMBL624231 0.73 MAPK1 (0.45) MAPK1NPC1HSP90AA1MAPTHTT
SCHEMBL27850501 0.73 KMT2A (0.40) MAPTSMN1; SMN2ALDH1A1
SCHEMBL28587111 0.69 EGFR (0.50) MAPK1NPC1HSP90AA1MAPTRAB9A

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
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed