SCHEMBL1708581

SCHEMBL1708581

CC(=O)O[C@H]1c2ccc(N[C@@H]3COc4c(Br)cccc43)cc2OC1C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 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
SCHEMBL3716544 0.83 HTR2A (0.33) POLBKDM4ELMNATP53MAPT
SCHEMBL1708342 0.81 NPC1 (0.35) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1707934 0.80 NPC1 (0.37) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL1708593 0.79 TSHR (0.36) KDM4ELMNATP53MAPTHTT
SCHEMBL1708444 0.78 BRD4 (0.32)
SCHEMBL1708436 0.78 P2RX7 (0.30)
SCHEMBL1708500 0.78 P2RX7 (0.32)
SCHEMBL1707926 0.77 RORC (0.32) MAPT
SCHEMBL1708601 0.77 NAMPT (0.34) SMN1; SMN2NPC1RAB9A
SCHEMBL3717017 0.77 SMN1; SMN2 (0.31) SMN1; SMN2HSD17B10

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 1 patent. 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