SCHEMBL3352616

SCHEMBL3352616

Nc1c(OCc2ccccc2)ccnc1NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 13/20 0.47
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
SGMS2 Q8NHU3 3/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL3352619 0.85 PPIA (0.41) PPIALTA4HMAPK14BRD4
SCHEMBL3345989 0.80 PPIA (0.49) PPIA
SCHEMBL5033887 0.74 LTA4H (0.67) LTA4HMAPK14
SCHEMBL5843850 0.73 BRD4 (0.63) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL1669341 0.69 SHMT2 (0.45)
SCHEMBL27647891 0.69 F2 (0.46) PPIASGMS2
SCHEMBL10424550 0.69 PPIA (0.74) PPIA
SCHEMBL8566190 0.69 KMT2A (0.58) PPIALTA4HMAPK14SGMS2
SCHEMBL11094009 0.68 PTGER1 (0.61) LTA4HMAPK14PTGER1PTGER4PTGER3
SCHEMBL10819322 0.68 MAPT (0.56) PPIALTA4HMAPK14BRD4

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-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed