SCHEMBL27664461

SCHEMBL27664461

NCc1cccc(Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)O)n3Cc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.66
EDNRB P24530 5/20 0.48
EDNRA P25101 5/20 0.48
POLB P06746 1/20 0.44
CFD P00746 1/20 0.41
MAPK8 P45983 3/20 0.41
FOLH1 Q04609 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2A P14555 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 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
SCHEMBL4980145 0.89 SERPINE1 (0.81) SERPINE1EDNRBEDNRAPOLBMAPK8
SCHEMBL4982128 0.88 SERPINE1 (0.68) SERPINE1EDNRBEDNRAPOLBMAPK8
SCHEMBL4982359 0.83 SERPINE1 (0.92) SERPINE1EDNRBEDNRAMAPK8FOLH1
SCHEMBL5419800 0.81 SERPINE1 (0.66) SERPINE1EDNRBEDNRAPOLBMAPK8
SCHEMBL4980302 0.80 SERPINE1 (1.00) SERPINE1EDNRBEDNRA
SCHEMBL4986284 0.79 SERPINE1 (0.57) SERPINE1EDNRBEDNRAPOLBMAPK8
SCHEMBL4887004 0.77 SERPINE1 (1.00) SERPINE1EDNRBEDNRAPOLBMAPK8
SCHEMBL27643178 0.77 SERPINE1 (0.50) SERPINE1EDNRBEDNRAMAPK8PLA2G2A
SCHEMBL4884301 0.76 SERPINE1 (0.80) SERPINE1EDNRBEDNRAMAPK8
SCHEMBL4892537 0.75 SERPINE1 (1.00) SERPINE1EDNRBEDNRAMAPK8MEN1

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
CN-1890214-A Heterocyclic- or aryloxy, -thio or -amino substituted indoles-2-carboxylic acids or esters as pai-1 WYETH CORP (US) 2007-01-03 CN claimed