SCHEMBL5577178

SCHEMBL5577178

CN(C)c1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.66
MAPT P10636 10/20 0.50
ALDH1A1 P00352 8/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HCAR3 P49019 1/20 0.50
HPN P05981 1/20 0.49
LMNA P02545 2/20 0.47
PKM P14618 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP1 Q9C000 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL10664728 0.80 CCR6 (0.64) CCR6MAPTALDH1A1HTTHPN
SCHEMBL11646163 0.80 CCR6 (0.68) CCR6MAPTALDH1A1HTTHPN
SCHEMBL29510540 0.80 CCR6 (0.68) CCR6MAPTALDH1A1HTTHPN
SCHEMBL25445 0.80 CCR6 (1.00) CCR6MAPTALDH1A1HTTKDM4E
SCHEMBL10586556 0.78 CCR6 (0.60) CCR6MAPTALDH1A1HTTHPN
SCHEMBL1936645 0.76 CCR6 (0.58) CCR6MAPTALDH1A1HTTHPN
SCHEMBL18919390 0.76 CCR6 (0.58) CCR6MAPTALDH1A1HTTKDM4E
SCHEMBL10666460 0.73 CCR6 (0.54) CCR6MAPTALDH1A1HTTHPN
SCHEMBL10880929 0.73 CCR6 (0.54) CCR6MAPTALDH1A1HTTHPN
SCHEMBL2036709 0.72 TSHR (0.62) MAPTALDH1A1HTTKDM4EHCAR3

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
US-20070128721-A1 Purified hepatitis C virus envelope proteins for diagnostic and therapeutic use INNOGENETICS N.V. (BE) 2007-06-07 US disclosed