SCHEMBL17677407

SCHEMBL17677407

CCOC(=O)c1c(OCC2CC2)c2c(=O)n(CC(=O)c3ccccc3)c(C)cc2n1C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.47
▸ PDE4B Q07343 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BLM P54132 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
SCHEMBL17677382 0.92 PDE4B (0.47) SMOPDE4BLMNA
SCHEMBL1061487 0.91 SMO (0.56) SMOPDE4BKMT2AMEN1LMNA
SCHEMBL1062446 0.90 KMT2A (0.50) SMOKMT2AMEN1LMNAALDH1A1
SCHEMBL1062520 0.87 KMT2A (0.47) SMOPDE4BKMT2AMEN1LMNA
SCHEMBL1061469 0.87 KMT2A (0.49) SMOKMT2AMEN1LMNAALDH1A1
SCHEMBL1061866 0.84 SMO (0.54) SMOKMT2AMEN1LMNAALDH1A1
SCHEMBL1062667 0.83 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL1061384 0.83 LMNA (0.47) SMOKMT2AMEN1LMNAALDH1A1
SCHEMBL1061851 0.83 SMO (0.58) SMOPDE4B
SCHEMBL1062124 0.81 SMO (0.57) SMOKMT2AMEN1LMNAALDH1A1

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
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
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