SCHEMBL17667839

SCHEMBL17667839

CCOC(=O)c1[nH]c2c(C)c(CC)n(CC(=O)c3cccc(OC)c3)c(=O)c2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CDYL2 Q8N8U2 5/20 0.44
▸ CDYL Q9Y232 4/20 0.44
▸ CDY1; CDY1B Q9Y6F8 4/20 0.44
▸ CBX7 O95931 4/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL17677357 0.84 MAPT (0.49) MAPTMEN1GAAKMT2ACDYL2
SCHEMBL1058048 0.74 SMN1; SMN2 (0.47) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL1063569 0.70 CDYL2 (0.48) MAPTKMT2ACDYL2CDYLCDY1; CDY1B
SCHEMBL10314637 0.68 CDYL2 (0.52) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL1248647 0.67 SMN1; SMN2 (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15151638 0.67 RAB9A (0.63) MAPTMEN1GAAKMT2ANPC1
SCHEMBL10314590 0.66 SMN1; SMN2 (0.48) MAPTCDYL2CDYLCDY1; CDY1BCBX7
SCHEMBL14725968 0.64 ELANE (0.50) MAPTKMT2ACDYL2CDYLCDY1; CDY1B
SCHEMBL15005212 0.63 ALDH1A1 (0.68) MAPTMEN1GAAKMT2ANPC1
SCHEMBL9938937 0.63 SMN1; SMN2 (0.59) MAPTMEN1KMT2ANPC1RAB9A

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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