SCHEMBL13496387

SCHEMBL13496387

COC(=O)CCCCCCn1c2nc(=O)n(N)c(=O)c-2nc2cc(C)c(N(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ P2RX3 P56373 4/20 0.34
▸ KAT2B Q92831 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ CA1 P00915 1/20 0.32

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
SCHEMBL865632 0.83 MEN1 (0.55) DYRK1AIDO1KDM4EMEN1USP2
SCHEMBL864002 0.81 MAPT (0.44) DYRK1AIDO1KDM4EMEN1USP2
SCHEMBL863988 0.75 MEN1 (0.56) IDO1KDM4EMEN1USP2MAPT
SCHEMBL865175 0.74 MEN1 (0.53) IDO1KDM4EMEN1USP2MAPT
SCHEMBL864674 0.73 MEN1 (0.53) IDO1KDM4EMEN1USP2MAPT
SCHEMBL864499 0.72 MEN1 (0.66) DYRK1AIDO1KDM4EMEN1USP2
SCHEMBL865835 0.72 MEN1 (0.55) IDO1KDM4EMEN1USP2MAPT
SCHEMBL864436 0.72 MEN1 (0.55) IDO1KDM4EMEN1USP2MAPT
SCHEMBL864562 0.72 MEN1 (0.55) IDO1KDM4EMEN1USP2MAPT
SCHEMBL10250092 0.72 MEN1 (0.57) IDO1KDM4EMEN1USP2MAPT

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-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 — — WO disclosed
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