SCHEMBL2371084

SCHEMBL2371084

O=C(NC1=NCCC2(O1)c1cc(I)ccc1Oc1ncc(Br)cc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.37
TP53 P04637 1/20 0.34
NPC1 O15118 5/20 0.33
KCNH2 Q12809 1/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FTO Q9C0B1 1/20 0.32
MAPT P10636 2/20 0.32
HDAC2 Q92769 1/20 0.31
CTSD P07339 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL14808102 1.00 BACE1 (0.37) BACE1TP53NPC1KCNH2RAB9A
SCHEMBL16109438 0.80 BACE1 (0.52) BACE1TP53NPC1KCNH2RAB9A
SCHEMBL2525290 0.80 BACE1 (0.52) BACE1TP53NPC1KCNH2RAB9A
SCHEMBL14823716 0.80 BACE1 (0.52) BACE1TP53NPC1KCNH2RAB9A
SCHEMBL14807845 0.77 BACE1 (0.37) BACE1
SCHEMBL2370435 0.77 BACE1 (0.37) BACE1
SCHEMBL14629846 0.73 BACE1 (0.37) BACE1
SCHEMBL2370552 0.72 MAPT (0.39) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL2370942 0.68 BACE1 (0.33) BACE1
SCHEMBL14807945 0.68 BACE1 (0.68) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758406-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2014-07-30 EP disclosed
WO-2014078314-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-05-22 WO disclosed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO disclosed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO disclosed