SCHEMBL12959641

SCHEMBL12959641

Cc1cc2nc(C(N)=O)c(=N)n(CCN3CCC(C(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MCHR1 Q99705 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SIRT2 Q8IXJ6 3/20 0.31
▸ SIRT1 Q96EB6 3/20 0.31

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
SCHEMBL12959643 0.86 ALDH1A1 (0.38) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL12959642 0.81 KDM4E (0.37) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL13965827 0.78 KDM4E (0.39) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL12959301 0.78 MEN1 (0.59) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL12958598 0.73 OPRK1 (0.39) MCHR1MAPTTP53RAB9A
SCHEMBL12960044 0.69 CYP1A2 (0.41) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL12960017 0.67 MEN1 (0.60) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL12959278 0.67 JAK2 (0.40) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL12958989 0.66 PRKCI (0.43) HTTKDM4EUSP2MAPTGAA
SCHEMBL13496361 0.66 HDAC1 (0.41) SMN1; SMN2LMNAHTTKDM4EMEN1

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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