SCHEMBL4540416

SCHEMBL4540416

O=C(O)c1cccn1-c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
CCR2 P41597 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
SLC6A9 P48067 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4541733 0.84 CFTR (0.43) L3MBTL1MAPTNPSR1ALDH1A1KDM4E
SCHEMBL4542122 0.83 CYP1A2 (0.47) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4539208 0.81 POLB (0.44) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4960652 0.77 POLB (0.47) POLBAPEX1TDP1L3MBTL1ALDH1A1
SCHEMBL4540644 0.72 POLB (0.47) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL422332 0.72 ALDH1A1 (0.62) TAS2R14ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4543597 0.70 POLB (0.41) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL29797539 0.70 MAPT (0.45) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4540543 0.69 MAPT (0.66) L3MBTL1MAPTNPSR1ALDH1A1PKM
SCHEMBL4540738 0.68 L3MBTL1 (0.42) POLBAPEX1TDP1L3MBTL1MAPT

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed