SCHEMBL11116534

SCHEMBL11116534

CC(=O)Oc1cccc(C#N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 4/20 0.43
PTGS2 P35354 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ACHE P22303 1/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
Benzene SCHEMBL16719455 0.87 MAPK1 (0.43) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL5473941 0.84 PTGS2 (0.52) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL6197525 0.83 MAOB (0.45) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL21728172 0.83 ACHE (0.54) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL21728176 0.81 MAPK1 (0.42) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL10500041 0.81 MAPK1 (0.42) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL10500045 0.81 MRGPRX4 (0.49) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL336624 0.81 KDM4E (0.46) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL30453685 0.81 KDM4E (0.46) MAPK1KDM4EPTGS2ALDH1A1HSD17B10
SCHEMBL7198722 0.80 PPARG (0.46) MAPK1KDM4EPTGS2ALDH1A1HSD17B10

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-0106339-A2 Method for the quantitative simultaneous determination of cells, and reagent therefor Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1984-04-25 EP disclosed