SCHEMBL1708122

SCHEMBL1708122

CCc1nc2ccc(F)cc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3OC(C)=O)c1C.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BMI1 P35226 3/20 0.33
TP53 P04637 2/20 0.32
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
NTRK1 P04629 2/20 0.32
NTRK2 Q16620 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDE2A O00408 2/20 0.31
CYP11B2 P19099 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
SCHEMBL1707879 0.99 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1708268 0.92 SMN1; SMN2 (0.35) MAPTLMNASMN1; SMN2NPSR1TP53
SCHEMBL1708264 0.91 ALDH1A1 (0.34) MAPTINSRIGF1RNTRK1NTRK2
SCHEMBL1708105 0.91 NTRK1 (0.38) MAPTLMNASMN1; SMN2NPSR1INSR
SCHEMBL1708250 0.91 ALDH1A1 (0.34) MAPTINSRIGF1RNTRK1NTRK2
SCHEMBL1708241 0.90 NTRK1 (0.38) MAPTLMNASMN1; SMN2NPSR1INSR
SCHEMBL1708392 0.88 INSR (0.32) INSRIGF1R
SCHEMBL10291340 0.88 MAPT (0.34) MAPTBMI1TP53NTRK1NPC1
SCHEMBL3794451 0.87 INSR (0.32) MAPTINSRIGF1RRAB9A
SCHEMBL10291339 0.87 BMI1 (0.34) MAPTBMI1TP53NTRK1NTRK2

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