SCHEMBL13349296

SCHEMBL13349296

NNc1ccc(C(=O)NCCCCCCO)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GABRA5 P31644 3/20 0.47
MAPK1 P28482 1/20 0.44
NAMPT P43490 2/20 0.43
EPHX2 P34913 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL31365939 0.88 L3MBTL1 (0.57) KDM4EEPHX2NPC1RAB9A
SCHEMBL8515103 0.87 KDM4E (0.49) KDM4EMAPK1NAMPTEPHX2KDM4C
SCHEMBL8031999 0.86 MAPK1 (0.64) POLBKDM4EMAPK1HDAC1
SCHEMBL16688446 0.85 MAPK1 (0.61) POLBKDM4EMAPK1NAMPTHDAC1
SCHEMBL12364920 0.84 EPHX2 (0.60) KDM4ENAMPTEPHX2NPC1RAB9A
SCHEMBL14000504 0.84 KDM4E (0.52) KDM4EMAPK1EPHX2KDM4CNPC1
SCHEMBL12364931 0.83 KDM4E (0.46) KDM4EMAPK1NAMPTEPHX2KDM4C
SCHEMBL8516388 0.83 KDM4E (0.58) POLBKDM4ENAMPTEPHX2KDM4C
SCHEMBL8515153 0.83 KDM4E (0.58) POLBKDM4ENAMPTEPHX2KDM4C
SCHEMBL8513622 0.83 KDM4E (0.58) POLBKDM4ENAMPTEPHX2KDM4C

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-RE46171-E1 Functional biopolymer modification reagents and uses thereof SOLULINK, INCORPORATED (US) 2016-10-04 US disclosed
US-7732628-B2 Such as 4-[8-(2-cyanoethyl-N,N-diisopropylphosphoramidyloxy)-2-aza-1-oxooct-1-yl]benzaldehyde, 4-[8-(2-cyanoethyl-N,N-diisopropylphosphoramidyloxy)-2-aza-1-oxooct-1-yl]acetophenone; for incorporation into oligonucleotides during immobilization and conjugation of biopolymers in solid phase synthesis SOLULINK INCORPORATED (US) 2010-06-08 US disclosed