SCHEMBL2014844

SCHEMBL2014844

CC(Cc1ccc(Br)cc1F)OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
PYCR1 P32322 1/20 0.33
KDM1A O60341 1/20 0.32
DPP4 P27487 1/20 0.32
PKM P14618 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
IDO1 P14902 1/20 0.31
ALOX5AP P20292 4/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL17145065 0.80 DPP4 (0.41) L3MBTL1DPP4
SCHEMBL507078 0.80 NAAA (0.46) ALDH1A1MEN1KMT2ANAAALMNA
SCHEMBL9119549 0.77 DHFR (0.31) L3MBTL1
SCHEMBL7212889 0.77 KDM4E (0.33) ALDH1A1LMNA
SCHEMBL7211776 0.76 KDM4C (0.36) ALDH1A1MEN1KMT2A
SCHEMBL7217804 0.75 NPC1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7050550 0.73 SIGMAR1 (0.39) MEN1KMT2A
SCHEMBL12069897 0.73 L3MBTL1 (0.40) ALDH1A1MEN1KMT2ANAAALMNA
SCHEMBL10058953 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL9123646 0.72 DHFR (0.35) ALDH1A1MEN1KMT2A

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-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed