SCHEMBL14468545

SCHEMBL14468545

COC(=O)c1ccc2c(c1)nc(N)n2CCCN(C)CCCn1c(N)nc2cc(C(=O)OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ADORA2A P29274 1/20 0.50
EHMT2 Q96KQ7 1/20 0.49
ITK Q08881 1/20 0.48
CNR2 P34972 4/20 0.47
CNR1 P21554 2/20 0.47
BACE1 P56817 5/20 0.46
TLR8 Q9NR97 2/20 0.44
NUDT1 P36639 1/20 0.44
PTGER4 P35408 1/20 0.44
SIRT2 Q8IXJ6 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
SCHEMBL14447551 0.95 TLR8 (0.54) KDM4EADORA2AEHMT2ITKCNR2
SCHEMBL19436514 0.86 KDM4E (0.56) KDM4EADORA2AEHMT2ITKBACE1
Bromide SCHEMBL23227960 0.85 KDM4E (0.55) KDM4EADORA2AEHMT2ITKBACE1
SCHEMBL2362229 0.83 KDM4E (0.58) KDM4EADORA2AEHMT2ITKCNR2
SCHEMBL21437365 0.82 EHMT2 (0.71) KDM4EADORA2AEHMT2ITKBACE1
SCHEMBL19451670 0.80 KMT2A (0.55)
SCHEMBL22121391 0.80 KDM4E (0.60) KDM4EADORA2AEHMT2ITKCNR2
SCHEMBL21310941 0.78 TLR7 (0.58) KDM4EADORA2AEHMT2ITKCNR2
SCHEMBL30897550 0.78 KDM4E (0.56) KDM4EEHMT2ITKCNR2PTGER4
SCHEMBL11947887 0.78 KDM4E (0.56) KDM4EEHMT2ITKCNR2PTGER4

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
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed