SCHEMBL5606239

SCHEMBL5606239

O=C1C=CC(=O)N1c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MGLL Q99685 14/20 0.42
FAAH O00519 5/20 0.42
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 2/20 0.34
CCR6 P51684 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1706734 0.77 BCHE (0.43) BCHETLR9MGLLFAAHHSP90AA1
SCHEMBL5178729 0.75 MGLL (0.48) BCHETLR9MGLLFAAHHSP90AA1
SCHEMBL327659 0.72 MGLL (0.40) BCHETLR9MGLLFAAHHSP90AA1
SCHEMBL15952680 0.72 ALDH1A1 (0.42) POLBNPC1ALDH1A1RAB9AKMT2A
SCHEMBL718706 0.72 SMN1; SMN2 (0.62) BCHETLR9MGLLPOLBNPC1
SCHEMBL29760726 0.70 SMN1; SMN2 (0.60) BCHETLR9MGLLPOLBNPC1
SCHEMBL31179958 0.69 TLR9 (0.56) BCHETLR9MGLLFAAHALDH1A1
SCHEMBL29714525 0.69 POLB (0.59) POLBALDH1A1KMT2APKMMAPK1
SCHEMBL15953109 0.69 KMT2A (0.41) POLBNPC1ALDH1A1RAB9AKMT2A
SCHEMBL28663483 0.69 POLB (0.59) POLBALDH1A1KMT2APKMMAPK1

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
US-20070196592-A1 Stretched Film, Process For The Production Thereof And Laminated Material TEIJIN DUPONT FILMS JAPAN LIMITED 2007-08-23 US disclosed
EP-1743915-A1 ORIENTED FILM, PROCESS FOR PRODUCING THE SAME AND LAMINATE THEREOF Teijin Dupont Films Japan Limited (JP) 2007-01-17 EP disclosed