SCHEMBL1978685

SCHEMBL1978685

CC[C@@]1(c2cc([N+](=O)[O-])ccc2F)CCN=C(N)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 5/20 0.44
BACE1 P56817 5/20 0.44
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.36
AKR1B1 P15121 1/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
TLR9 Q9NR96 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1980478 0.84 BACE2 (0.47) BACE2BACE1ALDH1A1HIF1AAKR1B1
SCHEMBL13268484 0.79 BACE1 (0.34) BACE2BACE1
SCHEMBL1979397 0.77 ALDH1A1 (0.40) BACE2BACE1ALDH1A1GAAHTT
SCHEMBL1441476 0.76 BACE1 (0.47) BACE2BACE1ALDH1A1HIF1AGAA
SCHEMBL1978209 0.74 BACE1 (0.47) BACE2BACE1ALDH1A1HIF1AHTT
SCHEMBL1978212 0.74 BACE1 (0.47) BACE2BACE1ALDH1A1HIF1AHTT
SCHEMBL1979221 0.74 BACE2 (0.44) BACE2BACE1ALDH1A1HIF1AAKR1B1
SCHEMBL14165303 0.74 BACE2 (0.44) BACE2BACE1ALDH1A1HIF1AAKR1B1
SCHEMBL13278685 0.74 BACE2 (0.44) BACE2BACE1ALDH1A1HIF1AAKR1B1
SCHEMBL13278513 0.73 BACE1 (0.43) BACE2BACE1ALDH1A1HIF1AAKR1B1

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-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed