SCHEMBL11372018

SCHEMBL11372018

COc1ccc(-n2c(=O)n3n(c2=S)CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MGLL Q99685 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL11367667 0.97 POLB (0.46) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11367971 0.95 POLB (0.45) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11377070 0.95 POLB (0.45) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11367742 0.89 POLB (0.53) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11358618 0.85 POLB (0.53) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11370546 0.85 L3MBTL1 (0.46) POLBMAPTLMNAGAAALDH1A1
SCHEMBL11367663 0.84 POLB (0.51) POLBGSK3AGSK3BMAPTLMNA
SCHEMBL11365116 0.83 ALDH1A1 (0.42) GSK3AGSK3BMAPTLMNAGAA
SCHEMBL11365448 0.81 LMNA (0.50) POLBMAPTLMNAGAAMAPK1
SCHEMBL11365858 0.81 ALDH1A1 (0.51) POLBGSK3AGSK3BMAPTGAA

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
US-4249934-A 1,2-Alkylene-4-substituted urazole herbicides MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-10 US disclosed