SCHEMBL1707925

SCHEMBL1707925

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c(-c5c(C)nc(N6CCCC6)nc5C)cccc43)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
MCHR1 Q99705 4/20 0.32
PTPN11 Q06124 3/20 0.32
CD274 Q9NZQ7 2/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CNR1 P21554 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31

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
SCHEMBL1707930 0.99 MAPT (0.36) MAPTALDH1A1MAPK1USP2MEN1
SCHEMBL1708185 0.94 ALDH1A1 (0.37) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1708215 0.93 ALDH1A1 (0.36) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1707924 0.84 FFAR1 (0.40)
SCHEMBL1707929 0.83 FFAR1 (0.33) MAPTALDH1A1MAPK1USP2MEN1
SCHEMBL3798510 0.81 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1707916 0.80 MTOR (0.36) MAPTALDH1A1MAPK1USP2MEN1
SCHEMBL1708449 0.79 FFAR1 (0.38)
SCHEMBL13047337 0.79 FFAR1 (0.37) MAPTALDH1A1MAPK1KDM4ELMNA
SCHEMBL1707749 0.79 MAPT (0.34) MAPTALDH1A1MAPK1KDM4ELMNA

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