SCHEMBL4075646

SCHEMBL4075646

N#Cc1ccc(-c2csc(N3C(=O)OC[C@@H]3CC(F)(F)F)n2)cc1.O=C1OCC(CC(F)(F)F)N1c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDH1 O75874 6/20 0.40
CA1 P00915 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ERBB2 P04626 1/20 0.36

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
SCHEMBL4081499 0.95 AR (0.47) ARMEN1KMT2AMAPTGAA
SCHEMBL4508808 0.95 AR (0.47) ARMEN1KMT2AMAPTGAA
SCHEMBL4077593 0.95 AR (0.47) ARMEN1KMT2AMAPTGAA
SCHEMBL4079469 0.92 CA1 (0.45) MEN1KMT2AMAPTIDH1CA1
SCHEMBL4078937 0.85 AR (0.49) ARMEN1KMT2AMAPTGAA
SCHEMBL4078206 0.83 GAA (0.51) ARMEN1KMT2AMAPTGAA
SCHEMBL4079139 0.83 GAA (0.51) ARMEN1KMT2AMAPTGAA
SCHEMBL4084130 0.81 CA1 (0.47) MEN1KMT2AMAPTIDH1CA1
SCHEMBL4078711 0.81 GAA (0.49) ARMEN1KMT2AMAPTGAA
SCHEMBL4082583 0.81 GAA (0.49) ARMEN1KMT2AMAPTGAA

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-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed