SCHEMBL17677357

SCHEMBL17677357

CCOC(=O)c1[nH]c2cc(CC)n(CC(=O)c3cccc(OC)c3)c(=O)c2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CDYL2 Q8N8U2 5/20 0.46
▸ CDYL Q9Y232 4/20 0.46
▸ CDY1; CDY1B Q9Y6F8 4/20 0.46
▸ CBX7 O95931 4/20 0.46
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42

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
SCHEMBL17667839 0.84 MAPT (0.44) MAPTGAAMEN1KMT2ACDYL2
SCHEMBL1058048 0.81 SMN1; SMN2 (0.47) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL1063569 0.78 CDYL2 (0.48) MAPTKMT2ACDYL2CDYLCDY1; CDY1B
SCHEMBL10314637 0.76 CDYL2 (0.52) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL10314590 0.73 SMN1; SMN2 (0.48) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL1061180 0.72 SMO (0.56) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL14780911 0.71 CA12 (0.42) MAPTMEN1KMT2ACDYL2CDYL
SCHEMBL1062730 0.70 KMT2A (0.46) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL1061681 0.69 CXCR3 (0.45) MAPTGAAMEN1KMT2ACDYL2
SCHEMBL1056839 0.69 KMT2A (0.49) MAPTGAAMEN1KMT2AKDM4E

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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