SCHEMBL525875

SCHEMBL525875

CC(Cc1ccc2c(c1)CCN2CCC(=O)OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
NOTUM Q6P988 1/20 0.44
PTPN1 P18031 1/20 0.44
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TMEM97 Q5BJF2 7/20 0.38
SIGMAR1 Q99720 7/20 0.38
SLC6A2 P23975 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL12505326 0.85 MAPT (0.38) MAPTNPC1RAB9AMAPK1NOTUM
SCHEMBL526254 0.84 NOTUM (0.38) MAPTNPC1RAB9AMAPK1NOTUM
SCHEMBL2548785 0.80 SCN1A (0.40) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL525874 0.79 CTSL (0.44) ALDH1A1LMNATP53
SCHEMBL526977 0.78 NOTUM (0.67) MAPTNPC1RAB9AMAPK1NOTUM
SCHEMBL16422050 0.78 MAPT (0.39) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL18902665 0.78 EPHX2 (0.41) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL12817652 0.77 MAPT (0.39) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL526097 0.77 NOTUM (0.49) MAPTNPC1RAB9AMAPK1NOTUM
SCHEMBL17516010 0.76 S1PR1 (0.42) MAPTNPC1RAB9AMAPK1KMT2A

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-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed