SCHEMBL638525

SCHEMBL638525

CC(C)(C)c1cccc(CC(=O)O)c1-n1c(=O)[nH]c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
KCNA5 P22460 2/20 0.35
TDP2 O95551 4/20 0.34
CCR9 P51686 2/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KMO O15229 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
AURKA O14965 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
SCHEMBL640778 0.85 DAO (0.41) PGRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL641034 0.83 NPEPPS (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL640386 0.80 PGR (0.44) PGRTDP2GRIN2DGRIN3BGRIN1
SCHEMBL640431 0.74 MMP2 (0.40)
SCHEMBL20844672 0.69 HTT (0.40) CCR9L3MBTL1
SCHEMBL638524 0.65 PGR (0.40) PGRTDP2CCR9L3MBTL1
SCHEMBL4241189 0.64 LMNA (0.51) PGRL3MBTL1
SCHEMBL7792855 0.64 CA2 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL640118 0.63 AURKA (0.49) PGRL3MBTL1AURKA
SCHEMBL641540 0.63 HSP90AA1 (0.42) PGRGRIN2DGRIN3BGRIN1GRIN2A

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-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed