SCHEMBL27901488

SCHEMBL27901488

COC(=O)C(C)(C)[C@](C)(NS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
ALOX5 P09917 1/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL27851940 0.80 CYP2C19 (0.43) CYP2C19ALDH1A1MAPTMEN1KMT2A
SCHEMBL568560 0.79 PTPRC (0.44) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL568559 0.79 PTPRC (0.44) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL568561 0.79 PTPRC (0.44) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL27868923 0.78 MEN1 (0.45) PTPRCALOX5ALDH1A1MAPTMEN1
SCHEMBL569162 0.78 PTPRC (0.50) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL569163 0.78 PTPRC (0.50) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL7664781 0.77 PTPRC (0.55) PTPRCALOX5CYP2C19ALDH1A1MAPT
SCHEMBL27901490 0.76 PTPRC (0.43) PTPRCALOX5ALDH1A1MAPTMEN1
SCHEMBL3577016 0.75 PTPRC (0.52) PTPRCALOX5CYP2C19ALDH1A1MAPT

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-103068806-A 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds SIENA BIOTECH SPA 2013-04-24 CN disclosed