SCHEMBL8536167

SCHEMBL8536167

Nc1ccc(NCCCCCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.56
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HCAR3 P49019 4/20 0.54
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KAT2B Q92831 4/20 0.49
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
DHFR P00374 1/20 0.45

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
SCHEMBL4295085 0.86 MAPT (0.63) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL37830 0.86 MAPT (0.63) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL29928397 0.86 MAPT (0.63) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL9755054 0.84 MAPT (0.65) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL28252139 0.84 MAPT (0.68) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL9820097 0.82 PRSS1 (0.57) PRSS1MAPTTDP1HCAR3L3MBTL1
SCHEMBL4359815 0.81 MAPT (0.63) PRSS1MAPTKMT2AMEN1TDP1
SCHEMBL19972855 0.81 HCAR3 (0.66) PRSS1MAPTHCAR3KAT2BLMNA
SCHEMBL8804352 0.81 PRSS1 (0.54) PRSS1MAPTHCAR3L3MBTL1KAT2B
SCHEMBL4301793 0.80 MAPT (0.70) PRSS1MAPTKMT2AMEN1HCAR3

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
EP-1340087-B1 USE OF INTRAMOLECULARLY, COVALENTLY CROSS-LINKED PROTEINS AS BINDING PARTNERS IN IMMUNOASSAYS ROCHE DIAGNOSTICS GMBH (DE) 2012-05-30 EP claimed