SCHEMBL2370552

SCHEMBL2370552

O=C(NC1=NCCC2(S1)c1cc(I)ccc1Oc1ncc(Br)cc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
BACE1 P56817 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MMP13 P45452 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL14629846 0.84 BACE1 (0.37) BACE1
SCHEMBL2521686 0.82 BACE1 (0.41) MAPTSMN1; SMN2NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL2370564 0.81 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2370933 0.75 BACE1 (0.35) BACE1
SCHEMBL2371163 0.72 KMT2A (0.40) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL14808102 0.72 BACE1 (0.37) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14823716 0.66 BACE1 (0.52) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16109438 0.66 BACE1 (0.52) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2525290 0.66 BACE1 (0.52) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL15134942 0.65 BACE1 (0.45) 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