SCHEMBL1708693

SCHEMBL1708693

CCc1nc2cc(OC)ccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3OC(C)=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 11/20 0.36
RAB9A P51151 4/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1708241 0.90 NTRK1 (0.38) SMN1; SMN2MAPTRAB9ALMNAALDH1A1
SCHEMBL1707875 0.90 HPGD (0.37) SMN1; SMN2GFERMAPTRAB9ALMNA
SCHEMBL1708105 0.90 NTRK1 (0.38) SMN1; SMN2MAPTRAB9ALMNAALDH1A1
SCHEMBL10291384 0.89 GFER (0.38) SMN1; SMN2GFERMAPTRAB9ALMNA
SCHEMBL10291534 0.88 GFER (0.37) SMN1; SMN2GFERMAPTRAB9ALMNA
SCHEMBL1708691 0.87 FFAR1 (0.46)
SCHEMBL1708439 0.87 FFAR1 (0.40) SMN1; SMN2GFERMAPTRAB9ALMNA
SCHEMBL1708303 0.87 SMN1; SMN2 (0.37) SMN1; SMN2GFERMAPTRAB9ALMNA
SCHEMBL1707879 0.86 MAPT (0.34) SMN1; SMN2MAPTRAB9ALMNANPC1
SCHEMBL1708250 0.86 ALDH1A1 (0.34) MAPTRAB9AKMT2AALDH1A1MEN1

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