SCHEMBL1708284

SCHEMBL1708284

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5ccc(C)cc54)c3C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 2/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL1708070 0.94 LMNA (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1708268 0.92 SMN1; SMN2 (0.35) MAPTMEN1KMT2AGAALMNA
SCHEMBL1708303 0.92 SMN1; SMN2 (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1708180 0.88 SMN1; SMN2 (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1708036 0.87 INSR (0.35) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1708109 0.85 FFAR1 (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1708280 0.85 FFAR1 (0.42)
SCHEMBL1707879 0.85 MAPT (0.34) MAPTLMNASMN1; SMN2INSRIGF1R
SCHEMBL1708250 0.85 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1708297 0.85 TSHR (0.38) MAPTALDH1A1GAALMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed