SCHEMBL27643178

SCHEMBL27643178

NCc1cccc(-c2ccc3c(c2)c(-c2ccccc2)c(C(=O)ON)n3Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.50
EDNRB P24530 4/20 0.46
EDNRA P25101 4/20 0.46
PLA2G2A P14555 2/20 0.46
MAPK8 P45983 8/20 0.46
ICMT O60725 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
SCHEMBL27643170 0.85 SERPINE1 (0.63) SERPINE1PLA2G2AMAPK8ICMT
SCHEMBL27643174 0.82 SERPINE1 (0.66) SERPINE1PLA2G2AMAPK8ICMT
SCHEMBL27643855 0.80 SERPINE1 (0.52) SERPINE1EDNRBEDNRAPLA2G2AMAPK8
SCHEMBL27664461 0.77 SERPINE1 (0.66) SERPINE1EDNRBEDNRAPLA2G2AMAPK8
SCHEMBL6093339 0.75 SERPINE1 (0.61) SERPINE1EDNRBEDNRA
SCHEMBL4886339 0.73 PLA2G2A (0.55) SERPINE1PLA2G2AMAPK8
SCHEMBL4893009 0.72 PLA2G2A (0.51) SERPINE1PLA2G2AMAPK8
SCHEMBL4980145 0.71 SERPINE1 (0.81) SERPINE1EDNRBEDNRAPLA2G2AMAPK8
SCHEMBL6092353 0.71 SERPINE1 (0.56) SERPINE1EDNRBEDNRA
SCHEMBL27643179 0.71 SERPINE1 (0.44) SERPINE1EDNRBEDNRA

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 disclosed