SCHEMBL6928315

SCHEMBL6928315

Nc1cccc2nc(C=O)sc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 4/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
PTBP1 P26599 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CA12 O43570 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
SCHEMBL6926317 0.79 PSMB8 (0.51) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL5260809 0.75 ASH1L (0.46) MAPTKDM4EHSD17B10HIF1ANPC1
SCHEMBL20969721 0.72 KDM4E (0.42) MAPTKDM4EHSD17B10HIF1ANPC1
SCHEMBL5780532 0.72 TLR8 (0.49) MAPTKDM4EHSD17B10HIF1ANPC1
SCHEMBL29954323 0.69 PSMB8 (0.53) MAPTKDM4EHSD17B10NPC1KMT2A
SCHEMBL221982 0.69 PSMB8 (0.53) MAPTKDM4EHSD17B10NPC1KMT2A
SCHEMBL21063750 0.68 PSMB8 (0.65) MAPTKDM4EHSD17B10HIF1ANPC1
SCHEMBL12649170 0.68 ALDH1A1 (0.45) MAPTKDM4EHSD17B10NPC1KMT2A
SCHEMBL5224200 0.68 KDM4E (0.39) MAPTKDM4EHSD17B10HIF1ANPC1
SCHEMBL27774016 0.67 APP (0.60) MAPTKDM4EHSD17B10NPC1KMT2A

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
WO-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 WO disclosed