SCHEMBL12959293

SCHEMBL12959293

Cc1cc2nc(C(N)=O)c(=N)n(CCCNCc3ccccc3)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL13496361 0.94 HDAC1 (0.41) MAPTPOLBKDM4ELMNAHTT
SCHEMBL12287021 0.80 ADRA1D (0.45) POLBKDM4EJAK2JAK1TYK2
SCHEMBL12959278 0.78 JAK2 (0.40) MAPTPOLBKDM4ELMNAHTT
SCHEMBL12959357 0.78 BCHE (0.39) MAPTPOLBKDM4ELMNAJAK2
SCHEMBL12958598 0.72 OPRK1 (0.39) MAPTRAB9AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL1053580 0.72 MEN1 (0.55) MAPTPOLBKDM4ELMNAHTT
SCHEMBL12958643 0.72 MEN1 (0.57) MAPTPOLBKDM4ELMNAHTT
SCHEMBL12960042 0.70 JAK2 (0.33) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12959013 0.70 HDAC1 (0.40) MAPTPOLBKDM4ELMNAHTT
Trifluoroacetic Acid SCHEMBL864102 0.66 MEN1 (0.56) MAPTPOLBKDM4ELMNAHTT

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-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — WO disclosed
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