SCHEMBL1707875

SCHEMBL1707875

COc1ccc2c(c1)nc(C1CC1)n2-c1cccc(CNc2ccc3c(c2)OC[C@H]3OC(C)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 6/20 0.35
GFER P55789 1/20 0.35
RAB9A P51151 7/20 0.33
NPC1 O15118 7/20 0.33
HSD17B10 Q99714 5/20 0.33
KDM4E B2RXH2 5/20 0.33
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PKM P14618 1/20 0.33
BMI1 P35226 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL1708693 0.90 SMN1; SMN2 (0.36) HPGDSMN1; SMN2GFERRAB9ANPC1
SCHEMBL1708638 0.88 FFAR1 (0.37) HPGDSMN1; SMN2GFERNPC1GAA
SCHEMBL1707874 0.88 FFAR1 (0.43)
SCHEMBL1708637 0.87 HPGD (0.37) HPGDSMN1; SMN2GFERRAB9ANPC1
SCHEMBL1708303 0.86 SMN1; SMN2 (0.37) HPGDSMN1; SMN2GFERRAB9ANPC1
SCHEMBL1708070 0.83 LMNA (0.40) HPGDSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1708680 0.83 MTNR1A (0.39) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL1708622 0.83 TSHR (0.35) HPGDSMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL1708180 0.82 SMN1; SMN2 (0.40) HPGDSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1708241 0.80 NTRK1 (0.38) HPGDSMN1; SMN2RAB9ANPC1KDM4E

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