SCHEMBL7915024

SCHEMBL7915024

C=CCCCCC1Cn2c(nc3cc(N)ccc32)O1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RAD52 P43351 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PRKACA P17612 1/20 0.30
GSK3B P49841 1/20 0.30
ROCK1 Q13464 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL7927257 1.00 GRM2 (0.32) GRM2KDM4ERAD52MAPTALDH1A1
SCHEMBL7926084 0.84 KDM4E (0.38) GRM2KDM4ERAD52MAPTALDH1A1
SCHEMBL7922728 0.84 GRM2 (0.36) GRM2KDM4ERAD52MAPTALDH1A1
SCHEMBL7928160 0.84 GRM2 (0.48) GRM2KDM4ERAD52
SCHEMBL7924595 0.84 GRM2 (0.48) GRM2KDM4ERAD52
SCHEMBL2220917 0.84 GRM2 (0.35) GRM2KDM4EALDH1A1
SCHEMBL12441129 0.84 GRM2 (0.35) GRM2KDM4EALDH1A1
SCHEMBL2220997 0.84 KDM4E (0.35) KDM4EMAPTALDH1A1HSD17B10TLR8
SCHEMBL2220435 0.84 KDM4E (0.35) KDM4EMAPTALDH1A1HSD17B10TLR8
SCHEMBL7918388 0.81 PTAFR (0.34)

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-2010036544-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed