SCHEMBL1708612

SCHEMBL1708612

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-c4c(C)nc5ccccn45)c3C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 6/20 0.37
ROCK2 O75116 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PPARD Q03181 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 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
SCHEMBL1708299 0.92 FFAR1 (0.42) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL10291386 0.91 LMNA (0.35) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL1708301 0.85 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL10009390 0.83 FFAR1 (0.40) FFAR1PPARDPPARGPPARA
SCHEMBL10291778 0.79 FFAR1 (0.39) FFAR1PDCD1CD274PPARD
SCHEMBL1708462 0.78 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL1708103 0.78 FFAR1 (0.39) FFAR1PDCD1CD274PPARDPPARG
SCHEMBL10291219 0.78 FFAR1 (0.40) FFAR1PDCD1CD274PPARDPPARG
SCHEMBL10292309 0.78 FFAR1 (0.44) SMN1; SMN2FFAR1PPARDPPARGPPARA
SCHEMBL1708164 0.77 FFAR1 (0.37) SMN1; SMN2RAB9AALDH1A1NPC1LMNA

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 3 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
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed