SCHEMBL4665046

SCHEMBL4665046

N=C1OCCN1c1ccc(NC(=O)c2ccc(F)cc2N(CS(=O)(=O)O)C(=O)c2ccc(Cl)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.42
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4667932 0.92 F10 (0.43) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4663209 0.91 F10 (0.42) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4665199 0.90 F10 (0.40) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4665290 0.90 F10 (0.40) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4667334 0.90 F10 (0.50) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4666914 0.89 F10 (0.48) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4667573 0.89 F10 (0.40) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4632553 0.87 F10 (0.43) F10MAPTHTTMEN1ALDH1A1
SCHEMBL4632548 0.86 F10 (0.40) F10MAPTHTTMEN1ALDH1A1
SCHEMBL3617560 0.85 F10 (0.46) F10MAPTHTTMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928868-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2008-06-11 EP disclosed
WO-2007028520-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed