SCHEMBL6914244

SCHEMBL6914244

Nc1ccc2onc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)c2c1.O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1noc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
SLC10A6 Q3KNW5 2/20 0.36
SLC10A2 Q12908 1/20 0.36
SLC10A1 Q14973 1/20 0.36
GPR27 Q9NS67 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KIT P10721 7/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GRIK1 P39086 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
CA1 P00915 1/20 0.33
PPIA P62937 1/20 0.33

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
SCHEMBL6713213 0.96 MEN1 (0.39) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6707834 0.90 ALDH1A1 (0.39) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6708537 0.88 ALDH1A1 (0.41) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6708837 0.87 KMT2A (0.41) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6709000 0.86 GRIK1 (0.40) MEN1KMT2AMAPTGRIK1
SCHEMBL6710414 0.85 GPR27 (0.40) MEN1KMT2AGPR27RXFP1ALDH1A1
SCHEMBL6714102 0.83 GPR27 (0.42) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6709874 0.83 GRIK1 (0.39) MEN1KMT2AMAPTCA12CA2
SCHEMBL6707828 0.83 SLC10A6 (0.36) MEN1KMT2AMAPTSLC10A6SLC10A2
SCHEMBL6710116 0.82 GPR27 (0.40) MEN1KMT2AMAPTSLC10A6SLC10A2

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed