SCHEMBL2370952

SCHEMBL2370952

COc1cc(F)c2c(c1)C1(CCN=C(NC(=O)c3ccc([N+](=O)[O-])cc3)O1)c1cc(Br)ccc1O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.38
SCD O00767 2/20 0.36
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL2527572 0.83 BACE1 (0.52) BACE1
SCHEMBL2370132 0.76 BACE1 (0.41) BACE1
SCHEMBL2370350 0.76 BACE1 (0.41) BACE1
SCHEMBL2370780 0.76 BACE1 (0.41) BACE1
SCHEMBL2371739 0.73 BACE1 (0.40) BACE1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14808160 0.70 BACE1 (0.41) BACE1
SCHEMBL2518641 0.68 BACE1 (0.54) BACE1
SCHEMBL2370839 0.67 BACE1 (0.37) BACE1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14808280 0.67 BACE1 (0.44) BACE1
SCHEMBL2371360 0.66 BACE1 (0.40) BACE1

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