SCHEMBL13939916

SCHEMBL13939916

CSc1cn(-c2ccc(N)cc2F)nn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NOTUM Q6P988 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ACKR3 P25106 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ CFTR P13569 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
SCHEMBL4020226 0.80 LRRK2 (0.46) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL17978571 0.72 GABRA2 (0.46) NOTUMRXRAGRIN1GRIN2B
SCHEMBL14320344 0.68 TDO2 (0.49) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL20409480 0.67 NOTUM (0.45) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL22637403 0.67 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL2627212 0.66 MAPT (0.50) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL512436 0.65 MAPT (0.39) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL29878633 0.65 MAPT (0.39) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL2658961 0.64 CYP1A2 (0.54) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL1353678 0.64 MAPT (0.46) ALDH1A1LMNAMAPTMAPK1GFER

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-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 — — US disclosed
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